ChemSpider 2D Image | 1-(3-Chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C19H13ClF3N3O

1-(3-Chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

  • Molecular FormulaC19H13ClF3N3O
  • Average mass391.774 Da
  • Monoisotopic mass391.069916 Da
  • ChemSpider ID29192291

More details:

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

1-(3-Chlorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
1-(3-Chlorophényl)-4-[2-(trifluorométhyl)phényl]-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-4-[2-(trifluormethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-b]pyridin-6-one, 1-(3-chlorophenyl)-1,4,5,7-tetrahydro-4-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 520.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.8±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2221.30
ACD/KOC (pH 5.5): 8651.61
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2221.30
ACD/KOC (pH 7.4): 8651.62
Polar Surface Area: 47 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 265.2±7.0 cm3

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