ChemSpider 2D Image | 4-(4-Iodo-1-isobutyl-5-methyl-1H-pyrazol-3-yl)pyridine | C13H16IN3

4-(4-Iodo-1-isobutyl-5-methyl-1H-pyrazol-3-yl)pyridine

  • Molecular FormulaC13H16IN3
  • Average mass341.191 Da
  • Monoisotopic mass341.038879 Da
  • ChemSpider ID53619980

More details:

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

4-(4-Iod-1-isobutyl-5-methyl-1H-pyrazol-3-yl)pyridin [German] [ACD/IUPAC Name]
4-(4-Iodo-1-isobutyl-5-methyl-1H-pyrazol-3-yl)pyridine [ACD/IUPAC Name]
4-(4-Iodo-1-isobutyl-5-méthyl-1H-pyrazol-3-yl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 4-[4-iodo-5-methyl-1-(2-methylpropyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
2098108-20-2 [RN]
MFCD30006846

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 389.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 189.3±27.9 °C
    Index of Refraction: 1.642
    Molar Refractivity: 79.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.83
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 164.66
    ACD/KOC (pH 5.5): 1343.41
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 164.70
    ACD/KOC (pH 7.4): 1343.73
    Polar Surface Area: 31 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 42.1±7.0 dyne/cm
    Molar Volume: 220.1±7.0 cm3

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