ChemSpider 2D Image | 5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile | C9H5ClN4

5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC9H5ClN4
  • Average mass204.616 Da
  • Monoisotopic mass204.020279 Da
  • ChemSpider ID14656116

More details:

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

104771-35-9 [RN]
1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2-pyridinyl)- [ACD/Index Name]
5-Chlor-1-(2-pyridinyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-chloro-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
5-CHLORO-1-(PYRIDIN-2-YL)PYRAZOLE-4-CARBONITRILE
5-chloro-1-pyridin-2-ylpyrazole-4-carbonitrile
DS-6688
MFCD17168530

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: 1.4±0.1 g/cm3
    Boiling Point: 395.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.7±23.7 °C
    Index of Refraction: 1.681
    Molar Refractivity: 55.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 12.61
    ACD/KOC (pH 5.5): 213.58
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.61
    ACD/KOC (pH 7.4): 213.58
    Polar Surface Area: 55 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 56.3±7.0 dyne/cm
    Molar Volume: 146.7±7.0 cm3

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