ChemSpider 2D Image | tert-Butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate | C12H15BrN2O2

tert-Butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID29783804

More details:

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

1393546-06-9 [RN]
2-Methyl-2-propanyl 3-bromo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-brom-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-carboxylat [German] [ACD/IUPAC Name]
3-Bromo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, 3-bromo-5,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
3-bromo-6-(tert-butoxycarbonyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
carboxylate [Wiki]
CC(C)(C)OC(=O)N1CC2=CC(Br)=CN=C2C1
MFCD22544061
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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: 354.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 167.9±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: 1.98
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 59.56
    ACD/KOC (pH 5.5): 648.47
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 59.68
    ACD/KOC (pH 7.4): 649.78
    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

    Click to predict properties on the Chemicalize site


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