ChemSpider 2D Image | Methyl 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C9H6Cl2N2O2

Methyl 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC9H6Cl2N2O2
  • Average mass245.062 Da
  • Monoisotopic mass243.980637 Da
  • ChemSpider ID28189777

More details:

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

1125592-35-9 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 4,6-dichloro-, methyl ester [ACD/Index Name]
4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
Methyl-4,6-dichlor-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
[1125592-35-9] [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid,4,6-dichloro-,methyl ester
CS-14131
METHYL 4,6-DICHLOROPYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
MFCD15529123

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 350.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 165.6±30.7 °C
    Index of Refraction: 1.646
    Molar Refractivity: 57.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 55.00
    ACD/KOC (pH 5.5): 612.86
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 55.01
    ACD/KOC (pH 7.4): 612.91
    Polar Surface Area: 44 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 51.1±7.0 dyne/cm
    Molar Volume: 157.5±7.0 cm3

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