ChemSpider 2D Image | N-(Cyanomethyl)-6-(trifluoromethyl)nicotinamide | C9H6F3N3O

N-(Cyanomethyl)-6-(trifluoromethyl)nicotinamide

  • Molecular FormulaC9H6F3N3O
  • Average mass229.159 Da
  • Monoisotopic mass229.046295 Da
  • ChemSpider ID26470998

More details:

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

3-Pyridinecarboxamide, N-(cyanomethyl)-6-(trifluoromethyl)- [ACD/Index Name]
N-(Cyanmethyl)-6-(trifluormethyl)nicotinamid [German] [ACD/IUPAC Name]
N-(Cyanomethyl)-6-(trifluoromethyl)nicotinamide [ACD/IUPAC Name]
N-(Cyanométhyl)-6-(trifluorométhyl)nicotinamide [French] [ACD/IUPAC Name]
1092346-02-5 [RN]
EA-0880
MFCD11501826 [MDL number]
N-(cyanomethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 385.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 186.8±27.9 °C
    Index of Refraction: 1.483
    Molar Refractivity: 47.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 0.60
    ACD/BCF (pH 5.5): 1.69
    ACD/KOC (pH 5.5): 50.75
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.69
    ACD/KOC (pH 7.4): 50.74
    Polar Surface Area: 66 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 40.5±3.0 dyne/cm
    Molar Volume: 166.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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