Basic information
- Standard SMILES
Cc1ccccc1C(=O)c1ccncc1- InChIKey
IEDFSFWHYQLYCE-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
Names & identifiers
- Preferred name
- 4-(2-Methylbenzoyl)pyridine
- IUPAC
- (2-methylphenyl)-pyridin-4-ylmethanone
Names & synonyms
(2-Methylphenyl)-4-pyridinylmethanone21656-86-04-(2-Methylbenzoyl)pyridine2-isonicotinoyltolueneSCHEMBL8864603Pyridin-4-yl(o-tolyl)methanoneIEDFSFWHYQLYCE-UHFFFAOYSA-NMFCD12153307
Database identifiers
- PubChem CID
- 19957162
- Nikkaji
- J2.414.264G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
5 records
Compound notes
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