ChemSpider 2D Image | 5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid | C9H5F3N2O2

5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

  • Molecular FormulaC9H5F3N2O2
  • Average mass230.143 Da
  • Monoisotopic mass230.030319 Da
  • ChemSpider ID28572218

More details:

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

1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-(trifluoromethyl)- [ACD/Index Name]
5-(Trifluormethyl)-1H-pyrrolo[3,2-b]pyridin-2-carbonsäure [German] [ACD/IUPAC Name]
5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid [ACD/IUPAC Name]
920979-05-1 [RN]
Acide 5-(trifluorométhyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylique [French] [ACD/IUPAC Name]
[920979-05-1] [RN]
5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylicacid
BS-17842
MFCD13196665 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 398.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 194.9±26.5 °C
    Index of Refraction: 1.604
    Molar Refractivity: 48.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.23
    ACD/LogD (pH 7.4): -0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 141.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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