ChemSpider 2D Image | tert-Butyl 3-hydroxy-6,6-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate | C13H21N3O3

tert-Butyl 3-hydroxy-6,6-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate

  • Molecular FormulaC13H21N3O3
  • Average mass267.324 Da
  • Monoisotopic mass267.158295 Da
  • ChemSpider ID28601024

More details:

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

1251000-23-3 [RN]
2-Methyl-2-propanyl 6,6-dimethyl-3-oxo-1,2,3,5,6,7-hexahydro-4H-pyrazolo[4,3-b]pyridine-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6,6-dimethyl-3-oxo-1,2,3,5,6,7-hexahydro-4H-pyrazolo[4,3-b]pyridin-4-carboxylat [German] [ACD/IUPAC Name]
4H-Pyrazolo[4,3-b]pyridine-4-carboxylic acid, 1,2,3,5,6,7-hexahydro-6,6-dimethyl-3-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
6,6-Diméthyl-3-oxo-1,2,3,5,6,7-hexahydro-4H-pyrazolo[4,3-b]pyridine-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-hydroxy-6,6-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate
AM805358
MFCD17016907
N1(C(=O)OC(C)(C)C)CC(C)(C)CC2=C1C(=NN2)O
t-Butyl 3-hydroxy-6,6-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate
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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: 421.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 208.4±28.7 °C
    Index of Refraction: 1.546
    Molar Refractivity: 70.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 34.67
    ACD/KOC (pH 5.5): 420.01
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 34.91
    ACD/KOC (pH 7.4): 422.93
    Polar Surface Area: 78 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 222.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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