ChemSpider 2D Image | 3-Nitro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine | C8H4F3N3O2

3-Nitro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

  • Molecular FormulaC8H4F3N3O2
  • Average mass231.132 Da
  • Monoisotopic mass231.025558 Da
  • ChemSpider ID22504579

More details:

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

1048914-26-6 [RN]
3-Nitro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
3-nitro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
GC-0759
MFCD11100250 [MDL number]
nitrotrifluoromethylpyrrolobpyridine

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 370.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.3±3.0 kJ/mol
    Flash Point: 178.0±26.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 48.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.38
    ACD/KOC (pH 5.5): 371.96
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.27
    ACD/KOC (pH 7.4): 370.46
    Polar Surface Area: 75 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 140.4±3.0 cm3

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