2-Chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
Basic information
- Standard SMILES
O=C(O)c1cc(-c2ncccc2F)c(F)cc1Cl- InChIKey
BMMZRTJTCKCVOC-UHFFFAOYSA-N- Molecular formula
- C12H6ClF2NO2
- Average molar mass
- 269.63 g/mol
- Monoisotopic mass
- 269.0055125
Names & identifiers
- Preferred name
- 2-Chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
- IUPAC
- 2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoic acid
Names & synonyms
SCHEMBL17239617BMMZRTJTCKCVOC-UHFFFAOYSA-N2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
Database identifiers
- PubChem CID
- 118497178
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
2 records
Compound notes
Loading…