2-(6-Methyl-1-oxo-1lambda~5~-pyridin-2-yl)-1-phenylethan-1-one
Basic information
- CAS
6961-55-3- Standard SMILES
Cc1cccc(CC(=O)c2ccccc2)[n+]1[O-]- InChIKey
YQEPIDSBNXHJPH-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- 2-(6-Methyl-1-oxo-1lambda~5~-pyridin-2-yl)-1-phenylethan-1-one
- IUPAC
- 2-(6-methyl-1-oxidopyridin-1-ium-2-yl)-1-phenylethanone
Names & synonyms
6961-55-3DTXSID00398656NSC63318NSC-633182-(6-Methyl-1-oxo-1lambda~5~-pyridin-2-yl)-1-phenylethan-1-one
Database identifiers
- CAS
6961-55-3- PubChem CID
- 4032850
- DTXSID
DTXSID00398656
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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