4-(2-Chloro-6-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
Basic information
- CAS
883796-06-3- Standard SMILES
Cc1nc(C)c(C#N)c(-c2c(F)cccc2Cl)c1C#N- InChIKey
WZKFGMBOZNGNQC-UHFFFAOYSA-N- Molecular formula
- C15H9ClFN3
- Average molar mass
- 285.7 g/mol
- Monoisotopic mass
- 285.0469032
Names & identifiers
- Preferred name
- 4-(2-Chloro-6-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
- IUPAC
- 4-(2-chloro-6-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
Names & synonyms
4-(2-chloro-6-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile4-(2-chloro-6-fluoro-phenyl)-2,6-dimethyl-pyridine-3,5-dicarbonitrileAKOS024326321ST50449516
Database identifiers
- CAS
883796-06-3- PubChem CID
- 4608971
- EC Number
- 159-682-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
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