2-[4-Fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
Basic information
- CAS
1261913-05-6- Standard SMILES
O=C(O)c1cccnc1-c1ccc(F)c(C(F)(F)F)c1- InChIKey
OVOIMFAWYBQOSP-UHFFFAOYSA-N- Molecular formula
- C13H7F4NO2
- Average molar mass
- 285.19 g/mol
- Monoisotopic mass
- 285.04129111
Names & identifiers
- Preferred name
- 2-[4-Fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
- IUPAC
- 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
Names & synonyms
1261913-05-62-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid2-(4-FLUORO-3-TRIFLUOROMETHYLPHENYL)NICOTINIC ACIDDTXSID20688268MFCD183184002-(4-Fluoro-3-trifluoromethylphenyl)nicotinic acid, 95%
Database identifiers
- CAS
1261913-05-6- PubChem CID
- 53224331
- DTXSID
DTXSID20688268
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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