ChemSpider 2D Image | 5,6-Dihydroxy-2,3-pyridinedione | C5H3NO4

5,6-Dihydroxy-2,3-pyridinedione

  • Molecular FormulaC5H3NO4
  • Average mass141.082 Da
  • Monoisotopic mass141.006210 Da
  • ChemSpider ID58838062

More details:

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

2,3-Pyridinedione, 5,6-dihydroxy- [ACD/Index Name]
5,6-Dihydroxy-2,3-pyridindion [German] [ACD/IUPAC Name]
5,6-Dihydroxy-2,3-pyridinedione [ACD/IUPAC Name]
5,6-Dihydroxy-2,3-pyridinedione [French] [ACD/IUPAC Name]
3,6-dihydroxypyridine-2,5-dione
C22287
  • Miscellaneous

    • Chemical Class:

      A pyridone that is pyridine-2,5-dione which is substituted at positions 3 and 6 by hydroxy groups. A metabolite of the agrochemical, chlorpyrifos. ChEBI CHEBI:144922

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

Density: 1.8±0.1 g/cm3
Boiling Point: 378.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 182.5±30.7 °C
Index of Refraction: 1.678
Molar Refractivity: 29.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 81.6±7.0 dyne/cm
Molar Volume: 78.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement