Basic information
- Standard SMILES
O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccncc1Br- InChIKey
ZMPZIKVOZPOWOU-UHFFFAOYSA-N- Molecular formula
- C13H8BrF3N2O2
- Average molar mass
- 361.11 g/mol
Names & identifiers
- Preferred name
- 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]isonicotinamide
- IUPAC
- 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
Names & synonyms
3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]isonicotinamideSCHEMBL10240093-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl] isonicotinamide
Database identifiers
- PubChem CID
- 66879880
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
9 records
Compound notes
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