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Search term: MF = 'C_{8}H_{6}BrN_{3}O_{2}'

ChemSpider 2D Image | 5-Bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid | C8H6BrN3O2

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

  • Molecular FormulaC8H6BrN3O2
  • Average mass256.056 Da
  • Monoisotopic mass254.964325 Da
  • ChemSpider ID28190029

More details:






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

1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 5-bromo-1-methyl- [ACD/Index Name]
5-Brom-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
5-Bromo-1-methyl-1H-pyrazolo-[3,4-b]pyridine-3-carboxylic acid
916326-81-3 [RN]
Acide 5-bromo-1-méthyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
5-?bromo-?1-?methyl-1H-?Pyrazolo[3,?4-?b]?pyridine-?3-?carboxylic acid
5-bromo-1-methyl-1h-pyrazolo[3,4-b]pyridine-3-carboxylicacid
Chemistry 18215
MFCD17016023

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 432.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.6±3.0 kJ/mol
    Flash Point: 215.4±27.3 °C
    Index of Refraction: 1.753
    Molar Refractivity: 53.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): -1.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 67.3±7.0 dyne/cm
    Molar Volume: 130.8±7.0 cm3

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