ChemSpider 2D Image | 4-(6-Hydroxy-2-pyridinyl)benzonitrile | C12H8N2O

4-(6-Hydroxy-2-pyridinyl)benzonitrile

  • Molecular FormulaC12H8N2O
  • Average mass196.205 Da
  • Monoisotopic mass196.063660 Da
  • ChemSpider ID28294098

More details:

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

1111110-50-9 [RN]
4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile
4-(6-Hydroxy-2-pyridinyl)benzonitrile [ACD/IUPAC Name]
4-(6-Hydroxypyridin-2-yl)benzonitrile
4-(6-Oxo-1,6-dihydro-2-pyridinyl)benzonitril [German] [ACD/IUPAC Name]
4-(6-Oxo-1,6-dihydro-2-pyridinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(6-hydroxy-2-pyridinyl)- [ACD/Index Name]
[1111110-50-9] [RN]
4-(6-Oxo-1,6-dihydropyridin-2-yl)benzonitrile
4-(6-oxo-1H-pyridin-2-yl)benzonitrile
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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: 1.3±0.1 g/cm3
    Boiling Point: 488.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 249.4±27.3 °C
    Index of Refraction: 1.658
    Molar Refractivity: 55.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 12.98
    ACD/KOC (pH 5.5): 214.98
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 12.82
    ACD/KOC (pH 7.4): 212.19
    Polar Surface Area: 57 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 70.8±5.0 dyne/cm
    Molar Volume: 150.3±5.0 cm3

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