ChemSpider 2D Image | 4-Nitro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine | C8H4F3N3O2

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

  • Molecular FormulaC8H4F3N3O2
  • Average mass231.132 Da
  • Monoisotopic mass231.025558 Da
  • ChemSpider ID58178785

More details:

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

1H-Pyrrolo[2,3-b]pyridine, 4-nitro-3-(trifluoromethyl)- [ACD/Index Name]
2007917-56-6 [RN]
4-Nitro-3-(trifluormethyl)-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
4-Nitro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
4-Nitro-3-(trifluorométhyl)-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
FC(F)(F)C1=CNC2=C1C(=CC=N2)N(=O)=O
MFCD30471633

    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: 2.37
    ACD/LogD (pH 5.5): 2.16
    ACD/BCF (pH 5.5): 25.90
    ACD/KOC (pH 5.5): 357.46
    ACD/LogD (pH 7.4): 2.16
    ACD/BCF (pH 7.4): 25.80
    ACD/KOC (pH 7.4): 356.09
    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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