ChemSpider 2D Image | 2-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile | C11H10N4

2-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile

  • Molecular FormulaC11H10N4
  • Average mass198.224 Da
  • Monoisotopic mass198.090546 Da
  • ChemSpider ID21804991

More details:

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

1134518-34-5 [RN]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitril [German] [ACD/IUPAC Name]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile [ACD/IUPAC Name]
2-(3,5-Diméthyl-1H-pyrazol-1-yl)nicotinonitrile [French] [ACD/IUPAC Name]
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carbonitrile
2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
3-Pyridinecarbonitrile, 2-(3,5-dimethyl-1H-pyrazol-1-yl)- [ACD/Index Name]
2-(3,5-dimethylpyrazolyl)pyridine-3-carbonitrile

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

MFCD09937736 [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: 373.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.7±27.9 °C
    Index of Refraction: 1.630
    Molar Refractivity: 59.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.48
    ACD/KOC (pH 5.5): 258.66
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.48
    ACD/KOC (pH 7.4): 258.66
    Polar Surface Area: 55 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 45.1±7.0 dyne/cm
    Molar Volume: 167.9±7.0 cm3

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