ChemSpider 2D Image | 4-{5-[(~2~H_4_)-4-Pyridinyl]-4H-1,2,4-triazol-3-yl}-2-pyridinecarbonitrile | C13H4D4N6

4-{5-[(2H4)-4-Pyridinyl]-4H-1,2,4-triazol-3-yl}-2-pyridinecarbonitrile

  • Molecular FormulaC13H4D4N6
  • Average mass252.268 Da
  • Monoisotopic mass252.106155 Da
  • ChemSpider ID107437960

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl-d4)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
4-{5-[(2H4)-4-Pyridinyl]-4H-1,2,4-triazol-3-yl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
4-{5-[(2H4)-4-Pyridinyl]-4H-1,2,4-triazol-3-yl}-2-pyridinecarbonitrile [ACD/IUPAC Name]
4-{5-[(2H4)-4-Pyridinyl]-4H-1,2,4-triazol-3-yl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 594.7±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: 175.3±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: 1.35
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 42.07
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.53
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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