ChemSpider 2D Image | 3-Chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydro-3-pyridinyl]oxy}benzonitrile | C20H14ClN5O2

3-Chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydro-3-pyridinyl]oxy}benzonitrile

  • Molecular FormulaC20H14ClN5O2
  • Average mass391.810 Da
  • Monoisotopic mass391.083588 Da
  • ChemSpider ID26325729

More details:






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

3-Chlor-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydro-3-pyridinyl]oxy}benzonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydro-3-pyridinyl]oxy}benzonitrile [ACD/IUPAC Name]
3-Chloro-5-{[4-méthyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylméthyl)-1,2-dihydro-3-pyridinyl]oxy}benzonitrile [French] [ACD/IUPAC Name]
3-Chloro-5-{[4-Methyl-2-Oxo-1-(2h-Pyrazolo[3,4-B]pyridin-3-Ylmethyl)-1,2-Dihydropyridin-3-Yl]oxy}benzonitrile
Benzonitrile, 3-chloro-5-[[1,2-dihydro-4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3-pyridinyl]oxy]- [ACD/Index Name]
M06

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.23
ACD/KOC (pH 5.5): 974.49
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.37
ACD/KOC (pH 7.4): 975.76
Polar Surface Area: 95 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 260.9±5.0 cm3

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