ChemSpider 2D Image | 6-chloro-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine | C12H9ClFN5

6-chloro-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC12H9ClFN5
  • Average mass277.685 Da
  • Monoisotopic mass277.053040 Da
  • ChemSpider ID22219931

More details:






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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 6-chloro-N-(4-fluorophenyl)-1-methyl- [ACD/Index Name]
6-Chlor-N-(4-fluorphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
6-Chloro-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
6-Chloro-N-(4-fluorophényl)-1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
6-chloro-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
(6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(4-fluoro-phenyl)-amine
1021268-94-9 [RN]
AKOS001786766
BBL001704
F2064-0047
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 413.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.1±28.7 °C
    Index of Refraction: 1.708
    Molar Refractivity: 70.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 105.64
    ACD/KOC (pH 5.5): 977.65
    ACD/LogD (pH 7.4): 2.97
    ACD/BCF (pH 7.4): 105.70
    ACD/KOC (pH 7.4): 978.21
    Polar Surface Area: 56 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 52.5±7.0 dyne/cm
    Molar Volume: 181.3±7.0 cm3

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