ChemSpider 2D Image | 1-(4-Fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | C21H17FN2O5

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

  • Molecular FormulaC21H17FN2O5
  • Average mass396.368 Da
  • Monoisotopic mass396.112152 Da
  • ChemSpider ID26038443

More details:

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

1-(4-Fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
1-(4-Fluorphenyl)-7-(4-hydroxy-3-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-(4-fluorophenyl)-4,5,6,7-tetrahydro-7-(4-hydroxy-3-methoxyphenyl)-5-oxo- [ACD/Index Name]
Acide 1-(4-fluorophényl)-7-(4-hydroxy-3-méthoxyphényl)-5-oxo-4,5,6,7-tétrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
1-(4-fluorophenyl)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1-(4-Fluoro-phenyl)-5-hydroxy-7-(4-hydroxy-3-methoxy-phenyl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1-(4-Fluoro-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1-(4-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1219574-90-9 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 645.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.0±3.0 kJ/mol
    Flash Point: 344.1±34.3 °C
    Index of Refraction: 1.669
    Molar Refractivity: 100.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 5.20
    ACD/KOC (pH 5.5): 57.19
    ACD/LogD (pH 7.4): -0.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 55.1±7.0 dyne/cm
    Molar Volume: 269.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement