ChemSpider 2D Image | 2-{[2-Nitro-4-(trifluoromethyl)phenyl]amino}-2-oxoethyl 6-cyclopropyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate | C22H20F3N5O5

2-{[2-Nitro-4-(trifluoromethyl)phenyl]amino}-2-oxoethyl 6-cyclopropyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID22008669

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1-(1-methylethyl)-, 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
2-{[2-Nitro-4-(trifluormethyl)phenyl]amino}-2-oxoethyl-6-cyclopropyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridin-4-carboxylat [German] [ACD/IUPAC Name]
2-{[2-Nitro-4-(trifluoromethyl)phenyl]amino}-2-oxoethyl 6-cyclopropyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate [ACD/IUPAC Name]
6-Cyclopropyl-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate de 2-{[2-nitro-4-(trifluorométhyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.95
ACD/KOC (pH 5.5): 3691.89
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.11
ACD/KOC (pH 7.4): 3687.27
Polar Surface Area: 132 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

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