ChemSpider 2D Image | 4-(3-Chlorobenzoyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C20H14ClF2N3O2

4-(3-Chlorobenzoyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

  • Molecular FormulaC20H14ClF2N3O2
  • Average mass401.794 Da
  • Monoisotopic mass401.074249 Da
  • ChemSpider ID28343208

More details:

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

4-(3-Chlorbenzoyl)-1-(2,4-difluorphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
4-(3-Chlorobenzoyl)-1-(2,4-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
4-(3-Chlorobenzoyl)-1-(2,4-difluorophényl)-3-méthyl-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-b]pyridin-6-one, 4-(3-chlorobenzoyl)-1-(2,4-difluorophenyl)-1,4,5,7-tetrahydro-3-methyl- [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: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.07
ACD/KOC (pH 5.5): 3526.73
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 634.07
ACD/KOC (pH 7.4): 3526.71
Polar Surface Area: 64 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 269.4±7.0 cm3

Click to predict properties on the Chemicalize site


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