ChemSpider 2D Image | Ethyl [4-(2-chloro-6-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate | C17H17ClFN3O3

Ethyl [4-(2-chloro-6-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

  • Molecular FormulaC17H17ClFN3O3
  • Average mass365.787 Da
  • Monoisotopic mass365.094238 Da
  • ChemSpider ID27325295

More details:

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

[4-(2-Chloro-6-fluorophényl)-3-méthyl-6-oxo-4,5,6,7-tétrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 4-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl [4-(2-chloro-6-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[4-(2-chlor-6-fluorphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetat [German] [ACD/IUPAC Name]
1310935-89-7 [RN]
ethyl [4-(2-chloro-6-fluorophenyl)-6-hydroxy-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate
ethyl 2-(4-(2-chloro-6-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 499.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.9±3.0 kJ/mol
    Flash Point: 255.8±31.5 °C
    Index of Refraction: 1.636
    Molar Refractivity: 90.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 33.83
    ACD/KOC (pH 5.5): 417.69
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 27.69
    ACD/KOC (pH 7.4): 341.90
    Polar Surface Area: 77 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 252.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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