ChemSpider 2D Image | 1-(pyridin-3-ylmethyl)indole-4-carbonitrile | C15H11N3

1-(pyridin-3-ylmethyl)indole-4-carbonitrile

  • Molecular FormulaC15H11N3
  • Average mass233.268 Da
  • Monoisotopic mass233.095291 Da
  • ChemSpider ID21805008

More details:

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

1-(3-Pyridinylmethyl)-1H-indol-4-carbonitril [German] [ACD/IUPAC Name]
1-(3-Pyridinylmethyl)-1H-indole-4-carbonitrile [ACD/IUPAC Name]
1-(3-Pyridinylméthyl)-1H-indole-4-carbonitrile [French] [ACD/IUPAC Name]
1-(Pyridin-3-ylmethyl)-1H-indole-4-carbonitrile
1-(pyridin-3-ylmethyl)indole-4-carbonitrile
1-[(PYRIDIN-3-YL)METHYL]-1H-INDOLE-4-CARBONITRILE
1030421-56-7 [RN]
1H-Indole-4-carbonitrile, 1-(3-pyridinylmethyl)- [ACD/Index Name]
MFCD12026992 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 479.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±3.0 kJ/mol
    Flash Point: 243.9±24.6 °C
    Index of Refraction: 1.647
    Molar Refractivity: 73.0±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 48.25
    ACD/KOC (pH 5.5): 501.09
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 70.08
    ACD/KOC (pH 7.4): 727.70
    Polar Surface Area: 42 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 200.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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