ChemSpider 2D Image | 5-Bromo-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one | C6H4BrN3O

5-Bromo-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one

  • Molecular FormulaC6H4BrN3O
  • Average mass214.020 Da
  • Monoisotopic mass212.953766 Da
  • ChemSpider ID26053693

More details:

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

1H-Pyrazolo[3,4-b]pyridin-3-ol, 5-bromo- [ACD/Index Name]
5-Brom-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-on [German] [ACD/IUPAC Name]
5-Bromo-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one [ACD/IUPAC Name]
5-Bromo-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one [French] [ACD/IUPAC Name]
1086064-44-9 [RN]
5-bromo-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
5-Bromo-3-hydroxy-1H-pyrazolo[3,4-b]pyridine
MFCD16739512
MFCD20923261

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

Density: 2.1±0.1 g/cm3
Boiling Point: 420.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 207.8±27.3 °C
Index of Refraction: 1.807
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 89.04
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 69.05
Polar Surface Area: 62 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 98.8±3.0 dyne/cm
Molar Volume: 102.9±3.0 cm3

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