6-(2,4-Difluorophenyl)nicotinic acid

HCID 24729985
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Basic information

CAS
505082-74-6
Standard SMILES
O=C(O)c1ccc(-c2ccc(F)cc2F)nc1
InChIKey
PFOATVDDIXDITI-UHFFFAOYSA-N
Molecular formula
C12H7F2NO2
Average molar mass
235.19 g/mol
Monoisotopic mass
235.04448479

Names & identifiers

Preferred name
6-(2,4-Difluorophenyl)nicotinic acid
IUPAC
6-(2,4-difluorophenyl)pyridine-3-carboxylic acid
English name
6-(2,4-Difluorophenyl)-nicotinic acid
Molecular formula
C12H7F2NO2
Molecular weight
235.19

Names & synonyms

6-(2,4-DIFLUOROPHENYL)NICOTINIC ACID505082-74-66-(2,4-DIFLUOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID6-(2,4-DIFLUOROPHENYL)-NICOTINIC ACIDMFCD06410416SCHEMBL4388622DTXSID20647037PFOATVDDIXDITI-UHFFFAOYSA-NAB24396BS-28702DB-2636866-(2,4-DIFLUOROPHENYL)NICOTINICACID
Show more names
6-(3,5-Difluorophenyl)-nicotinic acid6-(2,4-Difluorophenyl)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 6-(2,4-difluorophenyl)-
CS-0101158EN300-1628276

Database identifiers

CAS
505082-74-6
PubChem CID
24729985
DTXSID
DTXSID20647037

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Boiling point
368.352 · 368.352±42.00 °C(Press: 760.00 Torr)(predicted)
Density
1.393 · 1.393±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
4.238 · 4.238±0.10(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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