ChemSpider 2D Image | tert-butyl 3-bromo-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate | C11H16BrN3O2

tert-butyl 3-bromo-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate

  • Molecular FormulaC11H16BrN3O2
  • Average mass302.168 Da
  • Monoisotopic mass301.042572 Da
  • ChemSpider ID58801201

More details:

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

1936429-06-9 [RN]
2-Methyl-2-propanyl 3-bromo-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-brom-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-carboxylat [German] [ACD/IUPAC Name]
3-Bromo-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-bromo-1,4,6,7-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3-bromo-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
MFCD30751004
N1(CC2=C(NN=C2Br)CC1)C(=O)OC(C)(C)C
t-Butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
tert-butyl 3-bromo-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 437.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 218.5±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 67.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 46.71
    ACD/KOC (pH 5.5): 545.20
    ACD/LogD (pH 7.4): 2.50
    ACD/BCF (pH 7.4): 46.70
    ACD/KOC (pH 7.4): 545.07
    Polar Surface Area: 58 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 202.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement