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

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

  • Molecular FormulaC13H8N6
  • Average mass248.243 Da
  • Monoisotopic mass248.081039 Da
  • ChemSpider ID58809819

More details:

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

2044706-68-3 [RN]
2-Pyridinecarbonitrile, 4-[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]- [ACD/Index Name]
4-[5-(3-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridincarbonitril [German] [ACD/IUPAC Name]
4-[5-(3-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile [ACD/IUPAC Name]
4-[5-(3-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
4-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
4-(5-(Pyridin-3-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: 586.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 173.7±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: 1.53
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 86.65
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 49.54
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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