Basic information
- Standard SMILES
Cc1ccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)nc1C#N- InChIKey
TWQZCUAXZLIXNZ-UHFFFAOYSA-N- Molecular formula
- C21H15Cl2FN2O
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 400.0545467
Names & identifiers
- Preferred name
- 6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]-3-methyl-2-pyridinecarbonitrile
- IUPAC
- 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carbonitrile
Names & synonyms
SCHEMBL2956827TWQZCUAXZLIXNZ-UHFFFAOYSA-N6-[(5-chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]-3-methyl-2-pyridinecarbonitrile
Database identifiers
- PubChem CID
- 68456587
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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