1-[(4-Bromophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
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Basic information
- CAS
349475-41-8- Standard SMILES
Cc1cc(C)n(N=Cc2ccc(Br)cc2)c(=O)c1C#N- InChIKey
FNYSLZMBFCYCOZ-UHFFFAOYSA-N- Molecular formula
- C15H12BrN3O
- Average molar mass
- 330.18 g/mol
- Monoisotopic mass
- 329.01637
Names & identifiers
- Preferred name
- 1-[(4-Bromophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
- IUPAC
- 1-[(4-bromophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
- English name
- 1-[(4-bromobenzylidene)amino]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C15H12BrN3O
- Molecular weight
- 330.18
Names & synonyms
1-{[(4-bromophenyl)methylidene]amino}-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile1-[(4-bromobenzylidene)amino]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 1-[[(4-bromophenyl)methylene]amino]-1,2-dihydro-4,6-dimethyl-2-oxo-1-{[(E)-(4-bromophenyl)methylidene]amino}-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
349475-41-8- PubChem CID
- 717688
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Boiling point
- 425 · 425.0±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- -2.02 · -2.02±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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