ChemSpider 2D Image | 2-{[3-(Trifluoromethyl)(5,6-~2~H_2_)phenyl]amino}-3-(~2~H_3_)pyridinecarboxylic acid | C13H4D5F3N2O2

2-{[3-(Trifluoromethyl)(5,6-2H2)phenyl]amino}-3-(2H3)pyridinecarboxylic acid

  • Molecular FormulaC13H4D5F3N2O2
  • Average mass287.249 Da
  • Monoisotopic mass287.092987 Da
  • ChemSpider ID48060614

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[3-(Trifluormethyl)(5,6-2H2)phenyl]amino}-3-(2H3)pyridincarbonsäure [German] [ACD/IUPAC Name]
2-{[3-(Trifluoromethyl)(5,6-2H2)phenyl]amino}-3-(2H3)pyridinecarboxylic acid [ACD/IUPAC Name]
3-Pyridine-4,5,6-d3-carboxylic acid, 2-[[5-(trifluoromethyl)phenyl-2,3-d2]amino]- [ACD/Index Name]
Acide 2-{[3-(trifluorométhyl)(5,6-2H2)phényl]amino}-3-(2H3)pyridinecarboxylique [French] [ACD/IUPAC Name]
1794811-58-7 [RN]
4,5,6-trideuterio-2-[2,3-dideuterio-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 378.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±3.0 kJ/mol
    Flash Point: 182.4±27.9 °C
    Index of Refraction: 1.589
    Molar Refractivity: 65.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.94
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 12.48
    ACD/KOC (pH 5.5): 46.50
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 2.00
    ACD/KOC (pH 7.4): 7.43
    Polar Surface Area: 62 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 194.7±3.0 cm3

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