Basic information
- CAS
50548-83-9- Standard SMILES
COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)cc1- InChIKey
LPXZNXLORXWJTB-UHFFFAOYSA-N- Molecular formula
- C20H16N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.11609238
Names & identifiers
- Preferred name
- 4,6-Bis(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 4,6-bis(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
50548-83-94,6-Bis(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrileOprea1_103731DTXSID90495143AKOS003815802SR-01000436325SR-01000436325-1
Database identifiers
- CAS
50548-83-9- PubChem CID
- 12376600
- DTXSID
DTXSID90495143- Nikkaji
- J2.765.421E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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