6-(2-hydroxy-2,2-diphenylethyl)-2-oxo-1H-pyridine-3-carbonitrile
Basic information
- CAS
4487-42-7- Standard SMILES
N#Cc1ccc(CC(O)(c2ccccc2)c2ccccc2)[nH]c1=O- InChIKey
CIMYDLFWISMZLS-UHFFFAOYSA-N- Molecular formula
- C20H16N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12117776
Names & identifiers
- Preferred name
- 6-(2-hydroxy-2,2-diphenylethyl)-2-oxo-1H-pyridine-3-carbonitrile
- IUPAC
- 6-(2-hydroxy-2,2-diphenylethyl)-2-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
4487-42-7NSC66257DTXSID30963290NSC-662572-Hydroxy-6-(2-hydroxy-2,2-diphenylethyl)pyridine-3-carbonitrile
Database identifiers
- CAS
4487-42-7- PubChem CID
- 248802
- DTXSID
DTXSID30963290
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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