Basic information
- Standard SMILES
O=C(O)c1cnccc1C(=O)c1cc(Cl)ccc1F- InChIKey
DJZPXMHNDQXTLO-UHFFFAOYSA-N- Molecular formula
- C13H7ClFNO3
- Average molar mass
- 279.65 g/mol
Names & identifiers
- Preferred name
- 4-(5-Chloro-2-fluorobenzoyl)nicotinic acid
- IUPAC
- 4-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL7812042DJZPXMHNDQXTLO-UHFFFAOYSA-N4-(5-chloro-2-fluorobenzoyl)nicotinic acid
Database identifiers
- PubChem CID
- 19974753
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
4 records
Compound notes
Loading…