6-(3-Cyanophenyl)nicotinic acid

HCID 17877950
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Basic information

CAS
887975-97-5
Standard SMILES
N#Cc1cccc(-c2ccc(C(=O)O)cn2)c1
InChIKey
GKSSIPVARYBMTM-UHFFFAOYSA-N
Molecular formula
C13H8N2O2
Average molar mass
224.21 g/mol
Monoisotopic mass
224.0585775

Names & identifiers

Preferred name
6-(3-Cyanophenyl)nicotinic acid
IUPAC
6-(3-cyanophenyl)pyridine-3-carboxylic acid
English name
6-(3-Cyanophenyl)-nicotinic acid
Molecular formula
C13H8N2O2
Molecular weight
224.21

Names & synonyms

6-(3-Cyanophenyl)nicotinic acid887975-97-56-(3-CYANOPHENYL)PYRIDINE-3-CARBOXYLIC ACID6-(3-Cyanophenyl)nicotinicacid6-(3-Cyanophenyl)-nicotinic acidMFCD06410410SCHEMBL2072733DTXSID70591435GKSSIPVARYBMTM-UHFFFAOYSA-NAKOS016013226AB24387DS-5769
Show more names
DB-341571CS-0156934C76979F3233866-(3-CYANOPHENYL)-3-PYRIDINECARBOXYLIC ACID3-PYRIDINECARBOXYLIC ACID, 6-(3-CYANOPHENYL)-

Database identifiers

CAS
887975-97-5
PubChem CID
17877950
DTXSID
DTXSID70591435

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
74 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

storage temp.
Inert atmosphere,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers16 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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