ChemSpider 2D Image | Methyl 1-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C21H18FN3O6

Methyl 1-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC21H18FN3O6
  • Average mass427.383 Da
  • Monoisotopic mass427.117950 Da
  • ChemSpider ID31569798

More details:

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

1-{2-[1-(4-Fluorophényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl]-1,6-dihydro-5-nitro-6-oxo-, methyl ester [ACD/Index Name]
Methyl 1-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-1-{2-[1-(4-fluorphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.16
ACD/KOC (pH 5.5): 369.89
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.16
ACD/KOC (pH 7.4): 369.89
Polar Surface Area: 114 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 310.4±7.0 cm3

Click to predict properties on the Chemicalize site


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