ChemSpider 2D Image | 1-(3,5-Difluorophenyl)-7-(2-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | C21H16F2N2O4

1-(3,5-Difluorophenyl)-7-(2-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

  • Molecular FormulaC21H16F2N2O4
  • Average mass398.359 Da
  • Monoisotopic mass398.107819 Da
  • ChemSpider ID27323735

More details:

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

1-(3,5-Difluorophenyl)-7-(2-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
1-(3,5-Difluorphenyl)-7-(2-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-7-(2-methoxyphenyl)-5-oxo- [ACD/Index Name]
Acide 1-(3,5-difluorophényl)-7-(2-méthoxyphényl)-5-oxo-4,5,6,7-tétrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
1-(3,5-difluorophenyl)-5-hydroxy-7-(2-methoxyphenyl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1-(3,5-Difluoro-phenyl)-5-hydroxy-7-(2-methoxy-phenyl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1-(3,5-difluorophenyl)-7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1282096-81-4 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 600.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.0±3.0 kJ/mol
    Flash Point: 317.0±34.3 °C
    Index of Refraction: 1.644
    Molar Refractivity: 99.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): -0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 39.5±0.5 10-24cm3
    Surface Tension: 49.2±7.0 dyne/cm
    Molar Volume: 275.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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