ChemSpider 2D Image | tert-Butyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C12H15BrN2O2

tert-Butyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID26518189

More details:

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

1111638-13-1 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-bromo-2,3-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-brom-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
5-Bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
[1111638-13-1] [RN]
CS-16457
IN-0441
MFCD24448794
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 373.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.5±27.9 °C
    Index of Refraction: 1.573
    Molar Refractivity: 68.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 3.21
    ACD/BCF (pH 5.5): 163.32
    ACD/KOC (pH 5.5): 1335.36
    ACD/LogD (pH 7.4): 3.21
    ACD/BCF (pH 7.4): 163.47
    ACD/KOC (pH 7.4): 1336.55
    Polar Surface Area: 42 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 206.2±3.0 cm3

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