ChemSpider 2D Image | Methyl [4-(difluoromethyl)-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate | C18H17F2N3O2

Methyl [4-(difluoromethyl)-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

  • Molecular FormulaC18H17F2N3O2
  • Average mass345.343 Da
  • Monoisotopic mass345.128876 Da
  • ChemSpider ID21760419

More details:

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

[4-(Difluorométhyl)-3-méthyl-6-(4-méthylphényl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 4-(difluoromethyl)-3-methyl-6-(4-methylphenyl)-, methyl ester [ACD/Index Name]
Methyl [4-(difluoromethyl)-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate [ACD/IUPAC Name]
Methyl-[4-(difluormethyl)-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetat [German] [ACD/IUPAC Name]
(4-Difluoromethyl-3-methyl-6-p-tolyl-pyrazolo[3,4-b]pyridin-1-yl)-acetic acid methyl ester
methyl 2-[4-(difluoromethyl)-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridinyl]acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.0±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 352.22
ACD/KOC (pH 5.5): 2315.30
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.23
ACD/KOC (pH 7.4): 2315.39
Polar Surface Area: 57 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 264.0±7.0 cm3

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