ChemSpider 2D Image | 2-(1H-Imidazol-1-yl)nicotinonitrile | C9H6N4

2-(1H-Imidazol-1-yl)nicotinonitrile

  • Molecular FormulaC9H6N4
  • Average mass170.171 Da
  • Monoisotopic mass170.059250 Da
  • ChemSpider ID14843451

More details:

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

2-(1H-Imidazol-1-yl)nicotinonitril [German] [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)nicotinonitrile [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)nicotinonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-(1H-imidazol-1-yl)- [ACD/Index Name]
94448-88-1 [RN]
(3-isopropoxyphenyl)methanamine
[94448-88-1] [RN]
2-(1H-imidazol-1-yl)pyridine-3-carbonitrile
2-(imidazol-1-yl)-3-cyanopyridine
2-(IMIDAZOL-1-YL)PYRIDINE-3-CARBONITRILE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 400.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 196.1±24.6 °C
    Index of Refraction: 1.663
    Molar Refractivity: 50.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): 0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 33.78
    ACD/LogD (pH 7.4): 0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 33.92
    Polar Surface Area: 55 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 137.4±7.0 cm3

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