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ChemSpider 2D Image | tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C14H18N2O3

tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC14H18N2O3
  • Average mass262.304 Da
  • Monoisotopic mass262.131744 Da
  • ChemSpider ID25076042

More details:

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

1198103-73-9 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(hydroxymethyl)-5-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-5-méthyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD13563093 [MDL number]
tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
[1198103-73-9] [RN]
ST-8773
tert-butyl 3-(hydroxymethyl)-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 421.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 208.6±31.5 °C
    Index of Refraction: 1.569
    Molar Refractivity: 71.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 2.00
    ACD/BCF (pH 5.5): 19.45
    ACD/KOC (pH 5.5): 290.73
    ACD/LogD (pH 7.4): 2.00
    ACD/BCF (pH 7.4): 19.57
    ACD/KOC (pH 7.4): 292.51
    Polar Surface Area: 64 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 40.8±7.0 dyne/cm
    Molar Volume: 219.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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