ChemSpider 2D Image | 6-Amino-4-(4-bromophenyl)-1-(4-methylphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile | C20H13BrN4O

6-Amino-4-(4-bromophenyl)-1-(4-methylphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile

  • Molecular FormulaC20H13BrN4O
  • Average mass405.247 Da
  • Monoisotopic mass404.027252 Da
  • ChemSpider ID28637302

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,5-Pyridinedicarbonitrile, 6-amino-4-(4-bromophenyl)-1,2-dihydro-1-(4-methylphenyl)-2-oxo- [ACD/Index Name]
6-Amino-4-(4-bromophenyl)-1-(4-methylphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile [ACD/IUPAC Name]
6-Amino-4-(4-bromophényl)-1-(4-méthylphényl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile [French] [ACD/IUPAC Name]
6-Amino-4-(4-bromphenyl)-1-(4-methylphenyl)-2-oxo-1,2-dihydro-3,5-pyridindicarbonitril [German] [ACD/IUPAC Name]
6-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 511.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.8±30.1 °C
Index of Refraction: 1.719
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.88
ACD/KOC (pH 5.5): 1419.87
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.89
ACD/KOC (pH 7.4): 1419.92
Polar Surface Area: 94 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

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