ChemSpider 2D Image | Methyl 1-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C17H17N3O8

Methyl 1-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC17H17N3O8
  • Average mass391.332 Da
  • Monoisotopic mass391.101563 Da
  • ChemSpider ID33380712

More details:

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

1-{2-[(2,5-Diméthoxyphényl)amino]-2-oxoéthyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl]-1,6-dihydro-5-nitro-6-oxo-, methyl ester [ACD/Index Name]
Methyl 1-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}-5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-1-{2-[(2,5-dimethoxyphenyl)amino]-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: 598.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 59.62
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 59.62
Polar Surface Area: 140 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 271.9±5.0 cm3

Click to predict properties on the Chemicalize site


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