ChemSpider 2D Image | 3-Iodo-1-methyl-1H-pyrazolo[3,4-d]pyrimidine | C6H5IN4

3-Iodo-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC6H5IN4
  • Average mass260.035 Da
  • Monoisotopic mass259.955872 Da
  • ChemSpider ID35516497

More details:

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

1219636-66-4 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 3-iodo-1-methyl- [ACD/Index Name]
3-Iod-1-methyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3-Iodo-1-methyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3-Iodo-1-méthyl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
MFCD28955203

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 343.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.4±3.0 kJ/mol
    Flash Point: 161.2±22.3 °C
    Index of Refraction: 1.848
    Molar Refractivity: 50.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): 0.98
    ACD/BCF (pH 5.5): 3.24
    ACD/KOC (pH 5.5): 80.79
    ACD/LogD (pH 7.4): 0.98
    ACD/BCF (pH 7.4): 3.25
    ACD/KOC (pH 7.4): 80.85
    Polar Surface Area: 44 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 66.9±7.0 dyne/cm
    Molar Volume: 113.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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