ChemSpider 2D Image | 4-(Difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine | C21H16F3N3O2

4-(Difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine

  • Molecular FormulaC21H16F3N3O2
  • Average mass399.366 Da
  • Monoisotopic mass399.119446 Da
  • ChemSpider ID21760873

More details:

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

1H-Pyrazolo[3,4-b]pyridine, 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)- [ACD/Index Name]
4-(Difluormethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorphenyl)-1H-pyrazolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
4-(Difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine [ACD/IUPAC Name]
4-(Difluorométhyl)-6-(3,4-diméthoxyphényl)-1-(4-fluorophényl)-1H-pyrazolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrazolo[4,5-e]pyridin-6-yl]-1,2-dimethoxybenzene
4-Difluoromethyl-6-(3,4-dimethoxy-phenyl)-1-(4-fluoro-phenyl)-1H-pyrazolo[3,4-b]pyridine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 392.27
ACD/KOC (pH 5.5): 2500.87
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 392.27
ACD/KOC (pH 7.4): 2500.88
Polar Surface Area: 49 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 296.6±7.0 cm3

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