ChemSpider 2D Image | 6-[3-(Difluoromethoxy)phenyl]-1-(4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine | C20H11F6N3O

6-[3-(Difluoromethoxy)phenyl]-1-(4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

  • Molecular FormulaC20H11F6N3O
  • Average mass423.311 Da
  • Monoisotopic mass423.080627 Da
  • ChemSpider ID21760583

More details:

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

1H-Pyrazolo[3,4-b]pyridine, 6-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-4-(trifluoromethyl)- [ACD/Index Name]
6-[3-(Difluormethoxy)phenyl]-1-(4-fluorphenyl)-4-(trifluormethyl)-1H-pyrazolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
6-[3-(Difluoromethoxy)phenyl]-1-(4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine [ACD/IUPAC Name]
6-[3-(Difluorométhoxy)phényl]-1-(4-fluorophényl)-4-(trifluorométhyl)-1H-pyrazolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
6-(3-Difluoromethoxy-phenyl)-1-(4-fluoro-phenyl)-4-trifluoromethyl-1H-pyrazolo[3,4-b]pyridine
difluoro{3-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[4,5-e]pyridin-6-yl]phenoxy}methane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 450.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.2±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 95.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4445.27
ACD/KOC (pH 5.5): 14215.38
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4445.27
ACD/KOC (pH 7.4): 14215.38
Polar Surface Area: 40 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 289.8±7.0 cm3

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