ChemSpider 2D Image | Ethyl [4-(2,4-difluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate | C17H17F2N3O3

Ethyl [4-(2,4-difluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

  • Molecular FormulaC17H17F2N3O3
  • Average mass349.332 Da
  • Monoisotopic mass349.123810 Da
  • ChemSpider ID27327810

More details:






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

[4-(2,4-Difluorophényl)-3-méthyl-6-oxo-4,5,6,7-tétrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 4-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl [4-(2,4-difluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[4-(2,4-difluorphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetat [German] [ACD/IUPAC Name]
[4-(2,4-Difluoro-phenyl)-6-hydroxy-3-methyl-4,5-dihydro-pyrazolo[3,4-b]pyridin-1-yl]-acetic acid ethyl ester
1310936-50-5 [RN]
C17H17F2N3O3
ethyl [4-(2,4-difluorophenyl)-6-hydroxy-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate
ethyl 2-(4-(2,4-difluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 487.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.4±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 85.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 21.49
ACD/KOC (pH 5.5): 299.63
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 252.14
Polar Surface Area: 77 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 246.0±7.0 cm3

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