Basic information
- Standard SMILES
COC(=O)c1c(C#N)cc(Cl)nc1Nc1ccc(F)c(C)c1- InChIKey
ILYCASABNQHXHC-UHFFFAOYSA-N- Molecular formula
- C15H11ClFN3O2
- Average molar mass
- 319.72 g/mol
Names & identifiers
- Preferred name
- Methyl 6-chloro-4-cyano-2-(4-fluoro-3-methylphenylamino)nicotinate
- IUPAC
- methyl 6-chloro-4-cyano-2-(4-fluoro-3-methylanilino)pyridine-3-carboxylate
Names & synonyms
SCHEMBL1987971ILYCASABNQHXHC-UHFFFAOYSA-Nmethyl 6-chloro-4-cyano-2-(4-fluoro-3-methylphenylamino)nicotinate
Database identifiers
- PubChem CID
- 58317541
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
8 records
Compound notes
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