Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2cncc(F)c2)c1- InChIKey
HKRVBMKCXQZEOL-UHFFFAOYSA-N- Molecular formula
- C18H10ClF4N3O2
- Average molar mass
- 411.7 g/mol
- Monoisotopic mass
- 411.0397669
Names & identifiers
- Preferred name
- 2-Chloro-5'-fluoro-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
- IUPAC
- 6-chloro-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
2-Chloro-5'-fluoro-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamideCHEMBL3901009SCHEMBL15392342BDBM222541US9315489, 77
Database identifiers
- PubChem CID
- 72201586
- ChEMBL
CHEMBL3901009
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
6 records
Compound notes
Loading…