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Basic information
- Standard SMILES
COC(=O)c1cc(C#N)nc(-c2ccccc2)c1- InChIKey
HXCPNMUCZFKWQB-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- Methyl 2-cyano-6-phenylisonicotinate
- IUPAC
- methyl 2-cyano-6-phenylpyridine-4-carboxylate
Names & synonyms
methyl 2-cyano-6-phenylisonicotinate1041204-89-0SCHEMBL731135HXCPNMUCZFKWQB-UHFFFAOYSA-NDB-343256Methyl 2-cyano-6-phenylpyridine 4-carboxylatemethyl 2-cyano-6-phenylpyridine-4-carboxylate
Database identifiers
- PubChem CID
- 57930992
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
2 records
Compound notes
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