ChemSpider 2D Image | 1,6-Diamino-4-(3-chlorophenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile | C13H8ClN5O

1,6-Diamino-4-(3-chlorophenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile

  • Molecular FormulaC13H8ClN5O
  • Average mass285.689 Da
  • Monoisotopic mass285.041748 Da
  • ChemSpider ID28603508

More details:

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

1,6-Diamino-4-(3-chlorophenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile [ACD/IUPAC Name]
1,6-Diamino-4-(3-chlorophényl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile [French] [ACD/IUPAC Name]
1,6-Diamino-4-(3-chlorphenyl)-2-oxo-1,2-dihydro-3,5-pyridindicarbonitril [German] [ACD/IUPAC Name]
3,5-Pyridinedicarbonitrile, 1,6-diamino-4-(3-chlorophenyl)-1,2-dihydro-2-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 410.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.8±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 64.55
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 64.56
Polar Surface Area: 120 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 91.2±5.0 dyne/cm
Molar Volume: 181.8±5.0 cm3

Click to predict properties on the Chemicalize site


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