4-(5-Bromo-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Basic information
- CAS
892150-62-8- Standard SMILES
COc1cc(Br)cc(C2C(C#N)=C(C)NC(C)=C2C#N)c1OC- InChIKey
HOAMNCANYRJAGS-UHFFFAOYSA-N- Molecular formula
- C17H16BrN3O2
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.04259
Names & identifiers
- Preferred name
- 4-(5-Bromo-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- IUPAC
- 4-(5-bromo-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- English name
- 4-(5-Br-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
- Molecular formula
- C17H16BrN3O2
- Molecular weight
- 374.23
Names & synonyms
4-(5-bromo-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrileAKOS024405395ST512231404-(5-BR-2,3-DIMETHOXYPHENYL)-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBONITRILE3,5-Pyridinedicarbonitrile, 4-(5-bromo-2,3-dimethoxyphenyl)-1,4-dihydro-2,6-dimethyl-
Database identifiers
- CAS
892150-62-8- PubChem CID
- 4131877
- EC Number
- 121-957-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Boiling point
- 483.426 · 483.426±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.453 · 1.453±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.855 · 0.855±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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