ChemSpider 2D Image | 5-Bromo-1H-pyrazolo[3,4-b]pyridine | C6H4BrN3

5-Bromo-1H-pyrazolo[3,4-b]pyridine

  • Molecular FormulaC6H4BrN3
  • Average mass198.020 Da
  • Monoisotopic mass196.958847 Da
  • ChemSpider ID21109239

More details:

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

1449693-24-6 [RN]
1H-Pyrazolo[3,4-b]pyridine, 5-bromo- [ACD/Index Name]
5-Brom-1H-pyrazolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrazolo[3,4-b]pyridine [ACD/IUPAC Name]
5-Bromo-1H-pyrazolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
5-Bromo-2H-pyrazolo[3,4-b]pyridine
875781-17-2 [RN]
T56 BMN INJ GE [WLN]
[875781-17-2] [RN]
1199215-73-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 329.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 152.8±22.3 °C
    Index of Refraction: 1.746
    Molar Refractivity: 42.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.06
    ACD/KOC (pH 5.5): 154.97
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 7.65
    ACD/KOC (pH 7.4): 147.04
    Polar Surface Area: 42 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 76.9±3.0 dyne/cm
    Molar Volume: 104.5±3.0 cm3

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