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

2-Methyl-2-propanyl 3-bromo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate

  • Molecular FormulaC11H16BrN3O2
  • Average mass302.168 Da
  • Monoisotopic mass301.042572 Da
  • ChemSpider ID58821357

More details:

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

2-Methyl-2-propanyl 3-bromo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-brom-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-carboxylat [German] [ACD/IUPAC Name]
3-Bromo-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-c]pyridine-6-carboxylic acid, 3-bromo-1,4,5,7-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2158268-53-0 [RN]
2442522-68-9 [RN]
BrC1=NNC=2CN(CCC=21)C(=O)OC(C)(C)C
tert-butyl 3-bromo-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate

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): 46.71
ACD/KOC (pH 7.4): 545.19
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

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