ChemSpider 2D Image | Methyl 5-amino-1H-pyrrolo[2,3-b]pyridine-3-carboxylate | C9H9N3O2

Methyl 5-amino-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

  • Molecular FormulaC9H9N3O2
  • Average mass191.187 Da
  • Monoisotopic mass191.069473 Da
  • ChemSpider ID29784303

More details:

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

1234616-01-3 [RN]
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-amino-, methyl ester [ACD/Index Name]
5-Amino-1H-pyrrolo[2,3-b]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-amino-1H-pyrrolo[2,3-b]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-5-amino-1H-pyrrolo[2,3-b]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Chemistry 11804
Methyl 5-amino-7-azaindole-3-carboxylate
methyl5-amino-1h-pyrrolo[2,3-b]pyridine-3-carboxylate
MFCD14706227 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 421.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 208.7±27.3 °C
    Index of Refraction: 1.706
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.47
    ACD/LogD (pH 5.5): 1.01
    ACD/BCF (pH 5.5): 3.45
    ACD/KOC (pH 5.5): 84.13
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 3.50
    ACD/KOC (pH 7.4): 85.33
    Polar Surface Area: 81 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 73.1±3.0 dyne/cm
    Molar Volume: 135.3±3.0 cm3

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