ChemSpider 2D Image | 4-(3-Cyclopropyl-4,5-diiodo-1H-pyrazol-1-yl)-1-methyl-2(1H)-pyridinone | C12H11I2N3O

4-(3-Cyclopropyl-4,5-diiodo-1H-pyrazol-1-yl)-1-methyl-2(1H)-pyridinone

  • Molecular FormulaC12H11I2N3O
  • Average mass467.044 Da
  • Monoisotopic mass466.899139 Da
  • ChemSpider ID117183836

More details:

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

2(1H)-Pyridinone, 4-(3-cyclopropyl-4,5-diiodo-1H-pyrazol-1-yl)-1-methyl- [ACD/Index Name]
4-(3-Cyclopropyl-4,5-diiod-1H-pyrazol-1-yl)-1-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
4-(3-Cyclopropyl-4,5-diiodo-1H-pyrazol-1-yl)-1-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
4-(3-Cyclopropyl-4,5-diiodo-1H-pyrazol-1-yl)-1-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 379.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 183.0±27.9 °C
Index of Refraction: 1.831
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.67
ACD/KOC (pH 5.5): 680.60
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.67
ACD/KOC (pH 7.4): 680.60
Polar Surface Area: 38 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 198.2±7.0 cm3

Click to predict properties on the Chemicalize site


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