Basic information
- Standard SMILES
O=C(O)c1cccnc1C(=O)c1cccc(C(F)(F)F)c1- InChIKey
XNWSVUPTHFBKAC-UHFFFAOYSA-N- Molecular formula
- C14H8F3NO3
- Average molar mass
- 295.21 g/mol
Names & identifiers
- Preferred name
- 2-(3-Trifluoromethylbenzoyl)nicotinic acid
- IUPAC
- 2-[3-(trifluoromethyl)benzoyl]pyridine-3-carboxylic acid
Names & synonyms
2-(3-Trifluoromethylbenzoyl)nicotinic acidSCHEMBL7368545
Database identifiers
- PubChem CID
- 20078895
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
8 records
Compound notes
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