Basic information
- Standard SMILES
Cc1cc(=O)c(C(=O)O)cn1Cc1ccc(C#N)cc1- InChIKey
LQACYSUZMJXUJY-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
Names & identifiers
- Preferred name
- 1-(4-Cyano-benzyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid
- IUPAC
- 1-[(4-cyanophenyl)methyl]-6-methyl-4-oxopyridine-3-carboxylic acid
Names & synonyms
SCHEMBL15486170LQACYSUZMJXUJY-UHFFFAOYSA-N1570079-68-3DB-1209731-(4-Cyano-benzyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 86711526
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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