ChemSpider 2D Image | 3-Nitro-1H-pyrazolo[3,4-b]pyridine | C6H4N4O2

3-Nitro-1H-pyrazolo[3,4-b]pyridine

  • Molecular FormulaC6H4N4O2
  • Average mass164.122 Da
  • Monoisotopic mass164.033432 Da
  • ChemSpider ID26324225

More details:

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

116855-00-6 [RN]
1H-Pyrazolo[3,4-b]pyridine, 3-nitro- [ACD/Index Name]
3-Nitro-1H-pyrazolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
3-Nitro-1H-pyrazolo[3,4-b]pyridine [ACD/IUPAC Name]
3-Nitro-1H-pyrazolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
[116855-00-6] [RN]
1H-Pyrazolo[3,4-b]pyridine,3-nitro-
3-Nitro-1H-pyrazolo[3,4-b]pyridin
5H-Pyrrolo[3,2-d]pyrimidin-2-amine [ACD/Index Name] [ACD/IUPAC Name]
MFCD11867861 [MDL number]

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: 1.6±0.1 g/cm3
    Boiling Point: 410.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 202.1±23.2 °C
    Index of Refraction: 1.761
    Molar Refractivity: 41.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.40
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 28.05
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.65
    Polar Surface Area: 87 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 97.2±3.0 dyne/cm
    Molar Volume: 100.2±3.0 cm3

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