ChemSpider 2D Image | 5-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile | C13H8N6

5-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile

  • Molecular FormulaC13H8N6
  • Average mass248.243 Da
  • Monoisotopic mass248.081039 Da
  • ChemSpider ID24656580

More details:

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

2-Pyridinecarbonitrile, 5-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]- [ACD/Index Name]
5-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile [ACD/IUPAC Name]
5-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 594.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 175.2±18.1 °C
Index of Refraction: 1.697
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 87.64
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 68.17
Polar Surface Area: 91 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 170.9±5.0 cm3

Click to predict properties on the Chemicalize site


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