ChemSpider 2D Image | 4-[5-(5-Bromopyridin-3-yl)-1H-1,2,4-triazol-3-yl]aniline | C13H10BrN5

4-[5-(5-Bromopyridin-3-yl)-1H-1,2,4-triazol-3-yl]aniline

  • Molecular FormulaC13H10BrN5
  • Average mass316.156 Da
  • Monoisotopic mass315.011963 Da
  • ChemSpider ID21784452

More details:

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

1018127-95-1 [RN]
4-[3-(5-Brom-3-pyridinyl)-1H-1,2,4-triazol-5-yl]anilin [German] [ACD/IUPAC Name]
4-[3-(5-Bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]aniline [French] [ACD/IUPAC Name]
4-[5-(5-Bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]benzenamine
4-[5-(5-Bromopyridin-3-yl)-1H-1,2,4-triazol-3-yl]aniline
benzenamine, 4-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]-
4-[3-(5-bromopyridin-3-yl)-1H-1,2,4-triazol-5-yl]aniline
4-[5-(5-Bromo-pyridin-3-yl)-1H-[1,2,4]triazol-3-yl]-phenylamine

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 571.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.7±3.0 kJ/mol
    Flash Point: 299.3±32.9 °C
    Index of Refraction: 1.702
    Molar Refractivity: 76.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.46
    ACD/KOC (pH 5.5): 465.40
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.00
    ACD/KOC (pH 7.4): 459.68
    Polar Surface Area: 80 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 72.0±3.0 dyne/cm
    Molar Volume: 196.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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