ChemSpider 2D Image | 3-(2-Oxo-1(2H)-pyridinyl)phthalonitrile | C13H7N3O

3-(2-Oxo-1(2H)-pyridinyl)phthalonitrile

  • Molecular FormulaC13H7N3O
  • Average mass221.214 Da
  • Monoisotopic mass221.058914 Da
  • ChemSpider ID21124822

More details:

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

1,2-Benzenedicarbonitrile, 3-(2-oxo-1(2H)-pyridinyl)- [ACD/Index Name]
3-(2-Oxo-1(2H)-pyridinyl)phtalonitrile [French] [ACD/IUPAC Name]
3-(2-Oxo-1(2H)-pyridinyl)phthalonitril [German] [ACD/IUPAC Name]
3-(2-Oxo-1(2H)-pyridinyl)phthalonitrile [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 60.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 42.21
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 42.21
Polar Surface Area: 68 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 163.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement