ChemSpider 2D Image | tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C13H15IN2O2

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

  • Molecular FormulaC13H15IN2O2
  • Average mass358.175 Da
  • Monoisotopic mass358.017822 Da
  • ChemSpider ID25996277

More details:

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

1,1-Dimethylethyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
1198097-29-8 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-iodo-5-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-iod-5-methyl-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
3-Iodo-5-méthyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD13176648 [MDL number]
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
[1198097-29-8] [RN]
ST-9114
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 413.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 203.9±31.5 °C
    Index of Refraction: 1.625
    Molar Refractivity: 79.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 3.69
    ACD/BCF (pH 5.5): 375.11
    ACD/KOC (pH 5.5): 2421.70
    ACD/LogD (pH 7.4): 3.69
    ACD/BCF (pH 7.4): 375.31
    ACD/KOC (pH 7.4): 2422.99
    Polar Surface Area: 44 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 43.1±7.0 dyne/cm
    Molar Volume: 223.7±7.0 cm3

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