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Pyridine und Derivate

Aromatische organische Verbindungen, die aus einem aromatischen sechsgliedrigen Ring bestehen, der ein Stickstoffatom und fünf Kohlenstoffatome enthält; enthält Verbindungen, die aus Pyridinen abgeleitet wurden.

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1

Mangafodipir Trisodium (>85%), TRC

CAS: 140678-14-4 Summenformel: C22 H27 Mn N4 O14 P2 . 3 Na Molekulargewicht (g/mol): 757.32 Synonym: Manganate(6-), [[rel-[N(R),N'(R)]-N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-κO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-κN,κO]](8-)]-, sodium hydrogen (1:3:3), (OC-6-13)-,Manganate(6-), [[N,N'-1,2-ethanediylbis[N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato]](8-)]-, trisodium trihydrogen, (OC-6-13)-,Manganate(6-), [[rel-[N(R),N'(R)]-N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-κO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-κN,κO]](8-)]-, trisodium trihydrogen, (OC-6-13)- (9CI),Mangafodipir trisodium,MnDPDP,S 095,Teslascan,Win 59010 SMILES: [Na+].[Na+].[Na+].Cc1ncc(COP(=O)(O)O)c2CN34CCN56CC(=O)[O-][Mn+2]35([O-]C(=O)C4)([O-]c12)[O-]c7c(C)ncc(COP(=O)(O)[O-])c7C6

CAS 140678-14-4
Molekulargewicht (g/mol) 757.32
SMILES [Na+].[Na+].[Na+].Cc1ncc(COP(=O)(O)O)c2CN34CCN56CC(=O)[O-][Mn+2]35([O-]C(=O)C4)([O-]c12)[O-]c7c(C)ncc(COP(=O)(O)[O-])c7C6
Synonym Manganate(6-), [[rel-[N(R),N'(R)]-N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-κO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-κN,κO]](8-)]-, sodium hydrogen (1:3:3), (OC-6-13)-,Manganate(6-), [[N,N'-1,2-ethanediylbis[N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato]](8-)]-, trisodium trihydrogen, (OC-6-13)-,Manganate(6-), [[rel-[N(R),N'(R)]-N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-κO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-κN,κO]](8-)]-, trisodium trihydrogen, (OC-6-13)- (9CI),Mangafodipir trisodium,MnDPDP,S 095,Teslascan,Win 59010
Summenformel C22 H27 Mn N4 O14 P2 . 3 Na
2

3-Pyridin-3-ylanilin, 97 %, Thermo Scientific™

CAS: 57976-57-5 Summenformel: C11H10N2 Molekulargewicht (g/mol): 170.215 InChI-Schlüssel: YTJQJGKMRLQBJP-UHFFFAOYSA-N Synonym: 3-pyridin-3-yl benzenamine,3-pyridin-3-yl aniline,3-3-aminophenyl pyridine,3-3-pyridyl aniline,benzenamine, 3-3-pyridinyl,3-3-pyridinyl aniline,3-pyridin-3-yl anilin,3-3-pyridyl phenylamine,3-pyridine-3-yl aniline,3-pyridin-3-yl-phenylamine PubChem CID: 459521 IUPAC-Name: 3-Pyridin-3-ylanilin SMILES: C1=CC(=CC(=C1)N)C2=CN=CC=C2

InChI-Schlüssel YTJQJGKMRLQBJP-UHFFFAOYSA-N
IUPAC-Name 3-Pyridin-3-ylanilin
PubChem CID 459521
CAS 57976-57-5
Molekulargewicht (g/mol) 170.215
SMILES C1=CC(=CC(=C1)N)C2=CN=CC=C2
Synonym 3-pyridin-3-yl benzenamine,3-pyridin-3-yl aniline,3-3-aminophenyl pyridine,3-3-pyridyl aniline,benzenamine, 3-3-pyridinyl,3-3-pyridinyl aniline,3-pyridin-3-yl anilin,3-3-pyridyl phenylamine,3-pyridine-3-yl aniline,3-pyridin-3-yl-phenylamine
Summenformel C11H10N2
3
Sonderaktionen verfügbar

3-Picolin, 99 %, Thermo Scientific Chemicals

CAS: 108-99-6 Summenformel: C6H7N Molekulargewicht (g/mol): 93.13 MDL-Nummer: MFCD00006402 InChI-Schlüssel: ITQTTZVARXURQS-UHFFFAOYSA-N Synonym: 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine PubChem CID: 7970 ChEBI: CHEBI:39922 IUPAC-Name: 3-Methylpyridin SMILES: CC1=CN=CC=C1

InChI-Schlüssel ITQTTZVARXURQS-UHFFFAOYSA-N
IUPAC-Name 3-Methylpyridin
PubChem CID 7970
CAS 108-99-6
ChEBI CHEBI:39922
MDL-Nummer MFCD00006402
Molekulargewicht (g/mol) 93.13
SMILES CC1=CN=CC=C1
Synonym 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine
Summenformel C6H7N
4

3-Brom-4-methylpyridin 97 %, Thermo Scientific Chemicals

CAS: 3430-22-6 Summenformel: C6H6BrN Molekulargewicht (g/mol): 172.02 MDL-Nummer: MFCD00082592 InChI-Schlüssel: GSQZOLXWFQQJHJ-UHFFFAOYSA-N Synonym: 3-bromo-4-picoline,4-methyl-3-bromopyridine,pyridine, 3-bromo-4-methyl,3-bromo-4-methyl-pyridine,3-brom-4-methylpyridin,zlchem 494,pubchem3994,3-bromo4-methylpyridine,3-bromo-4-methylpyridin PubChem CID: 817630 IUPAC-Name: 3-Brom-4-Methylpyridin SMILES: CC1=C(C=NC=C1)Br

InChI-Schlüssel GSQZOLXWFQQJHJ-UHFFFAOYSA-N
IUPAC-Name 3-Brom-4-Methylpyridin
PubChem CID 817630
CAS 3430-22-6
MDL-Nummer MFCD00082592
Molekulargewicht (g/mol) 172.02
SMILES CC1=C(C=NC=C1)Br
Synonym 3-bromo-4-picoline,4-methyl-3-bromopyridine,pyridine, 3-bromo-4-methyl,3-bromo-4-methyl-pyridine,3-brom-4-methylpyridin,zlchem 494,pubchem3994,3-bromo4-methylpyridine,3-bromo-4-methylpyridin
Summenformel C6H6BrN
5

3-Brom-5-iodpyridin, 95 %, Thermo Scientific Chemicals

CAS: 233770-01-9 Summenformel: C5H3BrIN Molekulargewicht (g/mol): 283.894 MDL-Nummer: MFCD03086019 InChI-Schlüssel: AOOZLVWDZUPEHT-UHFFFAOYSA-N PubChem CID: 820409 IUPAC-Name: 3-Brom-5-Iodpyridin SMILES: C1=C(C=NC=C1I)Br

InChI-Schlüssel AOOZLVWDZUPEHT-UHFFFAOYSA-N
IUPAC-Name 3-Brom-5-Iodpyridin
PubChem CID 820409
CAS 233770-01-9
MDL-Nummer MFCD03086019
Molekulargewicht (g/mol) 283.894
SMILES C1=C(C=NC=C1I)Br
Summenformel C5H3BrIN
6

3-Pyrid-3-ylbenzoesäure, 95 %, Thermo Scientific™

CAS: 4385-77-7 Summenformel: C12H9NO2 Molekulargewicht (g/mol): 199.209 MDL-Nummer: MFCD03426512 InChI-Schlüssel: PXASTGBSGPFLFJ-UHFFFAOYSA-N Synonym: 3-pyridin-3-yl-benzoic acid,3-pyridin-3-yl benzoic acid,3-3'-pyridyl benzoic acid,3-3-pyridinyl benzoic acid,3-pyrid-3-ylbenzoic acid,3-3-pyridyl benzoic acid,benzoic acid, 3-3-pyridinyl,acmc-1bmxh,3-3'-pyridyl benzoicacid,3-3-carboxyphenyl pyridine PubChem CID: 2795575 IUPAC-Name: 3-Pyridin-3-ylbenzoesäure SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CN=CC=C2

InChI-Schlüssel PXASTGBSGPFLFJ-UHFFFAOYSA-N
IUPAC-Name 3-Pyridin-3-ylbenzoesäure
PubChem CID 2795575
CAS 4385-77-7
MDL-Nummer MFCD03426512
Molekulargewicht (g/mol) 199.209
SMILES C1=CC(=CC(=C1)C(=O)O)C2=CN=CC=C2
Synonym 3-pyridin-3-yl-benzoic acid,3-pyridin-3-yl benzoic acid,3-3'-pyridyl benzoic acid,3-3-pyridinyl benzoic acid,3-pyrid-3-ylbenzoic acid,3-3-pyridyl benzoic acid,benzoic acid, 3-3-pyridinyl,acmc-1bmxh,3-3'-pyridyl benzoicacid,3-3-carboxyphenyl pyridine
Summenformel C12H9NO2
7

3-Brom-5-fluorpyridin, 99 %, Thermo Scientific Chemicals

CAS: 407-20-5 Summenformel: C5H3BrFN Molekulargewicht (g/mol): 175.99 MDL-Nummer: MFCD04112555 InChI-Schlüssel: HNNNBQRRIHKFLI-UHFFFAOYSA-N Synonym: 5-bromo-3-fluoropyridine,3-bromo-5-fluoro-pyridine,3-brom-5-fluorpyridin,3-bromo-5-fluoro pyridine,pyridine, 3-bromo-5-fluoro,3-bromo-5-fluorpyridine,5-bromo-3-fluoride pyridine,3-bromine-5-fluoride pyridine,pubchem3964,3-bromo-5-fluoropyridin PubChem CID: 820206 IUPAC-Name: 3-Brom-5-Fluorpyridin SMILES: FC1=CN=CC(Br)=C1

InChI-Schlüssel HNNNBQRRIHKFLI-UHFFFAOYSA-N
IUPAC-Name 3-Brom-5-Fluorpyridin
PubChem CID 820206
CAS 407-20-5
MDL-Nummer MFCD04112555
Molekulargewicht (g/mol) 175.99
SMILES FC1=CN=CC(Br)=C1
Synonym 5-bromo-3-fluoropyridine,3-bromo-5-fluoro-pyridine,3-brom-5-fluorpyridin,3-bromo-5-fluoro pyridine,pyridine, 3-bromo-5-fluoro,3-bromo-5-fluorpyridine,5-bromo-3-fluoride pyridine,3-bromine-5-fluoride pyridine,pubchem3964,3-bromo-5-fluoropyridin
Summenformel C5H3BrFN
8

3-Brom-4-methylpyridin, 98 %, Thermo Scientific Chemicals

CAS: 3430-22-6 Summenformel: C6H6BrN Molekulargewicht (g/mol): 172.025 MDL-Nummer: MFCD00082592 InChI-Schlüssel: GSQZOLXWFQQJHJ-UHFFFAOYSA-N Synonym: 3-bromo-4-picoline,4-methyl-3-bromopyridine,pyridine, 3-bromo-4-methyl,3-bromo-4-methyl-pyridine,3-brom-4-methylpyridin,zlchem 494,pubchem3994,3-bromo4-methylpyridine,3-bromo-4-methylpyridin PubChem CID: 817630 IUPAC-Name: 3-Brom-4-Methylpyridin SMILES: CC1=C(C=NC=C1)Br

InChI-Schlüssel GSQZOLXWFQQJHJ-UHFFFAOYSA-N
IUPAC-Name 3-Brom-4-Methylpyridin
PubChem CID 817630
CAS 3430-22-6
MDL-Nummer MFCD00082592
Molekulargewicht (g/mol) 172.025
SMILES CC1=C(C=NC=C1)Br
Synonym 3-bromo-4-picoline,4-methyl-3-bromopyridine,pyridine, 3-bromo-4-methyl,3-bromo-4-methyl-pyridine,3-brom-4-methylpyridin,zlchem 494,pubchem3994,3-bromo4-methylpyridine,3-bromo-4-methylpyridin
Summenformel C6H6BrN
9

3-Brom-2-methylpyridin, 97 %, Thermo Scientific Chemicals

CAS: 38749-79-0 Summenformel: C6H6BrN Molekulargewicht (g/mol): 172.03 MDL-Nummer: MFCD00191224 InChI-Schlüssel: AIPWPTPHMIYYOX-UHFFFAOYSA-N Synonym: 3-bromo-2-picoline,2-methyl-3-bromopyridine,3-bromo-2-methyl-pyridine,pyridine, 3-bromo-2-methyl,2-methyl-3-bromo pyridine,pubchem1220,3-brom-2-methylpyridin,acmc-209j1t,3-bromo-2-methyl pyridine,ksc497m1l PubChem CID: 1201003 IUPAC-Name: 3-Brom-2-Methylpyridin SMILES: CC1=C(Br)C=CC=N1

InChI-Schlüssel AIPWPTPHMIYYOX-UHFFFAOYSA-N
IUPAC-Name 3-Brom-2-Methylpyridin
PubChem CID 1201003
CAS 38749-79-0
MDL-Nummer MFCD00191224
Molekulargewicht (g/mol) 172.03
SMILES CC1=C(Br)C=CC=N1
Synonym 3-bromo-2-picoline,2-methyl-3-bromopyridine,3-bromo-2-methyl-pyridine,pyridine, 3-bromo-2-methyl,2-methyl-3-bromo pyridine,pubchem1220,3-brom-2-methylpyridin,acmc-209j1t,3-bromo-2-methyl pyridine,ksc497m1l
Summenformel C6H6BrN
10

Ethyl-3-[2,6-dichlor-5-fluor-(3-pyridiyl)]-3-oxopropanoat, 97 %, Thermo Scientific™

CAS: 96568-04-6 Summenformel: C10H8Cl2FNO3 Molekulargewicht (g/mol): 280.08 MDL-Nummer: MFCD00799535 InChI-Schlüssel: IEUHWNLWVMLHHC-UHFFFAOYSA-N Synonym: ethyl 3-2,6-dichloro-5-fluoropyridin-3-yl-3-oxopropanoate,ethyl 3-2,6-dichloro-5-fluoro-3-pyridyl-3-oxopropionate,ethyl 2,6-dichloro-5-fluoronicotinoylacetate,ethyl 2,6-dichloro-5-fluoro pyridine-3-acetoacetate,ethyl 2,6-dichloro-5-fluoronicotinoyl acetate,ethyl 2,6-dichloro-5-fluornicotinoylacetate,ethyl 3-2,6-dichloro-5-fluoro-3-pyridiyl-3-oxopropanoate,2,6-dichloro-5-fluoronicotinoyl acetic acid ethyl ester,ethyl 2,6-dichloro-5-fluoro nicotinylacetate,ethyl 3-2,6-dichloro-5-fluoro 3-pyridyl-3-oxopropanoate PubChem CID: 2733708 IUPAC-Name: ethyl 3-(2,6-Dichlor-5-Fluorpyridin-3-yl)-3-Oxopropanoat SMILES: CCOC(=O)CC(=O)C1=CC(F)=C(Cl)N=C1Cl

InChI-Schlüssel IEUHWNLWVMLHHC-UHFFFAOYSA-N
IUPAC-Name ethyl 3-(2,6-Dichlor-5-Fluorpyridin-3-yl)-3-Oxopropanoat
PubChem CID 2733708
CAS 96568-04-6
MDL-Nummer MFCD00799535
Molekulargewicht (g/mol) 280.08
SMILES CCOC(=O)CC(=O)C1=CC(F)=C(Cl)N=C1Cl
Synonym ethyl 3-2,6-dichloro-5-fluoropyridin-3-yl-3-oxopropanoate,ethyl 3-2,6-dichloro-5-fluoro-3-pyridyl-3-oxopropionate,ethyl 2,6-dichloro-5-fluoronicotinoylacetate,ethyl 2,6-dichloro-5-fluoro pyridine-3-acetoacetate,ethyl 2,6-dichloro-5-fluoronicotinoyl acetate,ethyl 2,6-dichloro-5-fluornicotinoylacetate,ethyl 3-2,6-dichloro-5-fluoro-3-pyridiyl-3-oxopropanoate,2,6-dichloro-5-fluoronicotinoyl acetic acid ethyl ester,ethyl 2,6-dichloro-5-fluoro nicotinylacetate,ethyl 3-2,6-dichloro-5-fluoro 3-pyridyl-3-oxopropanoate
Summenformel C10H8Cl2FNO3
11

3-Brom-2-chlorpyridin, 97 %, Thermo Scientific Chemicals

CAS: 52200-48-3 Summenformel: C5H3BrClN Molekulargewicht (g/mol): 192.44 MDL-Nummer: MFCD00234007 InChI-Schlüssel: HDYNIWBNWMFBDO-UHFFFAOYSA-N Synonym: 2-chloro-3-bromopyridine,pyridine, 3-bromo-2-chloro,3-bromo-2-chloro-pyridine,pubchem1098,2-chloro-bromopyridine,acmc-209kyb,3-bromo-2-chlorolpyridine,3-bromo-2-chloropyridine,3-bromo-2-chloro pyridine,2-chloro-3-bromo pyridine PubChem CID: 693324 IUPAC-Name: 3-Brom-2-Chlorpyridin SMILES: C1=CC(=C(N=C1)Cl)Br

InChI-Schlüssel HDYNIWBNWMFBDO-UHFFFAOYSA-N
IUPAC-Name 3-Brom-2-Chlorpyridin
PubChem CID 693324
CAS 52200-48-3
MDL-Nummer MFCD00234007
Molekulargewicht (g/mol) 192.44
SMILES C1=CC(=C(N=C1)Cl)Br
Synonym 2-chloro-3-bromopyridine,pyridine, 3-bromo-2-chloro,3-bromo-2-chloro-pyridine,pubchem1098,2-chloro-bromopyridine,acmc-209kyb,3-bromo-2-chlorolpyridine,3-bromo-2-chloropyridine,3-bromo-2-chloro pyridine,2-chloro-3-bromo pyridine
Summenformel C5H3BrClN
12

3-Brom-5-Chlorpyridin, 97 %, Thermo Scientific Chemicals

CAS: 73583-39-8 Summenformel: C5H3BrClN Molekulargewicht (g/mol): 192.44 InChI-Schlüssel: BELDOPUBSLPBCQ-UHFFFAOYSA-N Synonym: 3-chloro-5-bromopyridine,3-bromo-5-chloro-pyridine,pyridine, 3-bromo-5-chloro,5-bromo-3-chloropyridine,pubchem7700,3-brom-5-chlorpyridin,acmc-209orf,#,ksc377a4j,3-bromo-5-chloropyridine PubChem CID: 606256 IUPAC-Name: 3-Brom-5-Chlorpyridin SMILES: C1=C(C=NC=C1Br)Cl

InChI-Schlüssel BELDOPUBSLPBCQ-UHFFFAOYSA-N
IUPAC-Name 3-Brom-5-Chlorpyridin
PubChem CID 606256
CAS 73583-39-8
Molekulargewicht (g/mol) 192.44
SMILES C1=C(C=NC=C1Br)Cl
Synonym 3-chloro-5-bromopyridine,3-bromo-5-chloro-pyridine,pyridine, 3-bromo-5-chloro,5-bromo-3-chloropyridine,pubchem7700,3-brom-5-chlorpyridin,acmc-209orf,#,ksc377a4j,3-bromo-5-chloropyridine
Summenformel C5H3BrClN
13

3-Brom-2,5-diaminopyridin, 99 %, Thermo Scientific Chemicals

CAS: 896160-69-3 Summenformel: C5H6BrN3 Molekulargewicht (g/mol): 188.03 MDL-Nummer: MFCD03427651 InChI-Schlüssel: YJENCMIONVUOCW-UHFFFAOYSA-N Synonym: 2,5-diamino-3-bromopyridine,3-bromo-2,5-diaminopyridine,2,5-diamino-3-bormopyridine,2,5-pyridinediamine, 3-bromo,pubchem5490,acmc-1c3l9,3-bromanylpyridine-2,5-diamine,abbypharma ap-31-4166 PubChem CID: 2734413 IUPAC-Name: 3-bromopyridine-2,5-diamine SMILES: NC1=CC(Br)=C(N)N=C1

InChI-Schlüssel YJENCMIONVUOCW-UHFFFAOYSA-N
IUPAC-Name 3-bromopyridine-2,5-diamine
PubChem CID 2734413
CAS 896160-69-3
MDL-Nummer MFCD03427651
Molekulargewicht (g/mol) 188.03
SMILES NC1=CC(Br)=C(N)N=C1
Synonym 2,5-diamino-3-bromopyridine,3-bromo-2,5-diaminopyridine,2,5-diamino-3-bormopyridine,2,5-pyridinediamine, 3-bromo,pubchem5490,acmc-1c3l9,3-bromanylpyridine-2,5-diamine,abbypharma ap-31-4166
Summenformel C5H6BrN3
14

3-Cyanpyridin 98 %, Thermo Scientific Chemicals

CAS: 100-54-9 Summenformel: C6H4N2 Molekulargewicht (g/mol): 104.11 MDL-Nummer: MFCD00006372 InChI-Schlüssel: GZPHSAQLYPIAIN-UHFFFAOYSA-N Synonym: 3-cyanopyridine,nicotinonitrile,3-pyridinecarbonitrile,nicotinic acid nitrile,3-pyridinenitrile,3-pyridylcarbonitrile,3-azabenzonitrile,3-cyjanopirydyna,nitryl kwasu nikotynowego,3-cyjanopirydyna polish PubChem CID: 79 ChEBI: CHEBI:86556 IUPAC-Name: Pyridin-3-Carbonitril SMILES: N#CC1=CC=CN=C1

InChI-Schlüssel GZPHSAQLYPIAIN-UHFFFAOYSA-N
IUPAC-Name Pyridin-3-Carbonitril
PubChem CID 79
CAS 100-54-9
ChEBI CHEBI:86556
MDL-Nummer MFCD00006372
Molekulargewicht (g/mol) 104.11
SMILES N#CC1=CC=CN=C1
Synonym 3-cyanopyridine,nicotinonitrile,3-pyridinecarbonitrile,nicotinic acid nitrile,3-pyridinenitrile,3-pyridylcarbonitrile,3-azabenzonitrile,3-cyjanopirydyna,nitryl kwasu nikotynowego,3-cyjanopirydyna polish
Summenformel C6H4N2
15

3-Brom-2-fluor-5-nitropyridin, 97 %, Thermo Scientific Chemicals

CAS: 1868-58-2 Summenformel: C5H2BrFN2O2 Molekulargewicht (g/mol): 220.99 MDL-Nummer: MFCD08703668 InChI-Schlüssel: NLLPMLSUMJHTCJ-UHFFFAOYSA-N Synonym: 2-fluoro-3-bromo-5-nitropyridine,acmc-1celf,3-bromanyl-2-fluoranyl-5-nitro-pyridine PubChem CID: 345124 IUPAC-Name: 3-Brom-2-Fluor-5-Nitropyridin SMILES: [O-][N+](=O)C1=CN=C(F)C(Br)=C1

InChI-Schlüssel NLLPMLSUMJHTCJ-UHFFFAOYSA-N
IUPAC-Name 3-Brom-2-Fluor-5-Nitropyridin
PubChem CID 345124
CAS 1868-58-2
MDL-Nummer MFCD08703668
Molekulargewicht (g/mol) 220.99
SMILES [O-][N+](=O)C1=CN=C(F)C(Br)=C1
Synonym 2-fluoro-3-bromo-5-nitropyridine,acmc-1celf,3-bromanyl-2-fluoranyl-5-nitro-pyridine
Summenformel C5H2BrFN2O2