CAS 582325-22-2 6-(3-Fluorophenyl)nicotinic acid (HCID 24729972)

Substructure search Find similar structures

Basic information

CAS: 582325-22-2
Standard SMILES: O=C(O)c1ccc(-c2cccc(F)c2)nc1
InChIKey: OYDONGYKOJEHSZ-UHFFFAOYSA-N
Molecular formula: C12H8FNO2
Average molar mass: 217.2 g/mol
Monoisotopic mass: 217.05390672

Names & identifiers

Preferred name: 6-(3-Fluorophenyl)nicotinic acid
IUPAC: 6-(3-fluorophenyl)pyridine-3-carboxylic acid
English name: 6-(3-Fluorophenyl)-nicotinic acid
Molecular formula: C12H8FNO2
Molecular weight: 217.2

Names & synonyms

6-(3-Fluorophenyl)nicotinic acid582325-22-26-(3-FLUOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID6-(3-FLUOROPHENYL)-NICOTINIC ACID6-(3-FLUOROPHENYL)-3-PYRIDINECARBOXYLIC ACIDMFCD06410387SCHEMBL1543156DTXSID60647031AMY11301BCP335EX-A3277AC7632

Show more names

6-(3-fluorophenyl)acid3-Pyridinecarboxylic acid, 6-(3-fluorophenyl)-

AKOS016003041AB24339SY014585TS-03108DB-023601CS-0156904EN300-1628108F066049

Database identifiers

CAS: 582325-22-2
PubChem CID: 24729972
DTXSID: DTXSID60647031

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 259

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501