ChemSpider 2D Image | 5-(Trifluormethyl)-1H-pyrrolo[2,3-b]pyridin | C8H5F3N2

5-(Trifluormethyl)-1H-pyrrolo[2,3-b]pyridin

  • Molecular FormulaC8H5F3N2
  • Average mass186.134 Da
  • Monoisotopic mass186.040482 Da
  • ChemSpider ID22504571

More details:

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

1036027-54-9 [RN]
1H-pyrrolo[2,3-b]pyridine, 5-(trifluoromethyl)- [ACD/Index Name]
5-(Trifluormethyl)-1H-pyrrolo[2,3-b]pyridin [ACD/IUPAC Name]
5-(Trifluormethyl)-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
5-(Trifluorométhyl)-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine
MFCD06659680 [MDL number]
[1036027-54-9] [RN]
1H-Pyrrolo[2,3-b]pyridine,5-(trifluoromethyl)-
4-(4,4-dimethylcyclohexyl)cyclohexanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 270.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.8±3.0 kJ/mol
    Flash Point: 117.5±25.9 °C
    Index of Refraction: 1.560
    Molar Refractivity: 41.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 37.93
    ACD/KOC (pH 5.5): 469.60
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 37.96
    ACD/KOC (pH 7.4): 470.03
    Polar Surface Area: 29 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 39.3±3.0 dyne/cm
    Molar Volume: 128.6±3.0 cm3

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