ChemSpider 2D Image | tert-butyl 5-methoxypyrrolo[2,3-b]pyridine-1-carboxylate | C13H16N2O3

tert-butyl 5-methoxypyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC13H16N2O3
  • Average mass248.278 Da
  • Monoisotopic mass248.116089 Da
  • ChemSpider ID21329295

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

1,1-Dimethylethyl 5-methoxy-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-methoxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-methoxy-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-methoxy-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
5-Méthoxy-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
5-Methoxy-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
928653-83-2 [RN]
tert-butyl 5-methoxy-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
tert-butyl 5-methoxypyrrolo[2,3-b]pyridine-1-carboxylate
[928653-83-2] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08741547 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 365.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.2±3.0 kJ/mol
    Flash Point: 174.9±28.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 67.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.91
    ACD/KOC (pH 5.5): 999.33
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.93
    ACD/KOC (pH 7.4): 999.57
    Polar Surface Area: 53 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 38.5±7.0 dyne/cm
    Molar Volume: 212.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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