ChemSpider 2D Image | Methyl 5-{[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-2-furoate | C14H11F3N2O5

Methyl 5-{[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-2-furoate

  • Molecular FormulaC14H11F3N2O5
  • Average mass344.243 Da
  • Monoisotopic mass344.062012 Da
  • ChemSpider ID26186095

More details:

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

2-Furancarboxylic acid, 5-[[3-(aminocarbonyl)-2-oxo-6-(trifluoromethyl)-1(2H)-pyridinyl]methyl]-, methyl ester [ACD/Index Name]
5-{[3-Carbamoyl-2-oxo-6-(trifluorométhyl)-1(2H)-pyridinyl]méthyl}-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1(2H)-pyridinyl]methyl}-2-furoate [ACD/IUPAC Name]
Methyl-5-{[3-carbamoyl-2-oxo-6-(trifluormethyl)-1(2H)-pyridinyl]methyl}-2-furoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 538.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.3±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.66
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 46.66
Polar Surface Area: 103 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

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