ChemSpider 2D Image | tert-butyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C13H16N2O3

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

  • Molecular FormulaC13H16N2O3
  • Average mass248.278 Da
  • Monoisotopic mass248.116089 Da
  • ChemSpider ID26051888

More details:

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

144657-67-0 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
[144657-67-0] [RN]
1-(tert-Butyloxycarbonyl)-3-(hydroxymethyl)-7-azaindole
GE-0740
MFCD11054204 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 405.9±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 199.3±30.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 67.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 9.18
    ACD/KOC (pH 5.5): 170.04
    ACD/LogD (pH 7.4): 1.57
    ACD/BCF (pH 7.4): 9.20
    ACD/KOC (pH 7.4): 170.45
    Polar Surface Area: 64 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 43.1±7.0 dyne/cm
    Molar Volume: 204.2±7.0 cm3

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