ChemSpider 2D Image | (5E)-5-(5-Oxido-2,6-dioxo-1,6-dihydro-3(2H)-pyridinylidene)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinolate | C10H4N2O6

(5E)-5-(5-Oxido-2,6-dioxo-1,6-dihydro-3(2H)-pyridinylidene)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinolate

  • Molecular FormulaC10H4N2O6
  • Average mass248.150 Da
  • Monoisotopic mass248.008026 Da
  • ChemSpider ID28184740

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-(2,6-Dioxo-5-oxydo-1,6-dihydro-3(2H)-pyridinylidène)-2,6-dioxo-1,2,5,6-tétrahydro-3-pyridinolate [French] [ACD/IUPAC Name]
(5E)-5-(5-Oxido-2,6-dioxo-1,6-dihydro-3(2H)-pyridinyliden)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinolat [German] [ACD/IUPAC Name]
(5E)-5-(5-Oxido-2,6-dioxo-1,6-dihydro-3(2H)-pyridinylidene)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinolate [ACD/IUPAC Name]
2,6(1H,3H)-Pyridinedione, 3-(1,6-dihydro-5-hydroxy-2,6-dioxo-3(2H)-pyridinylidene)-5-hydroxy-, ion(2-), (3E)- [ACD/Index Name]
(5E)-6-hydroxy-5-(2-hydroxy-5-oxido-6-oxopyridin-3(6H)-ylidene)-2-oxo-2,5-dihydropyridin-3-olate
(E)-2,2',5,5'-tetrahydroxy-6H,6'H-(3,3'-bipyridinylidene)-6,6'-dione
(E)-2,2',5,5'-tetrahydroxy-6H,6'H-[3,3'-bipyridinylidene]-6,6'-dione
4,5,4',5'-tetrahydroxy-3,3'-diazadiphenoquinone-(2,2')
nicotine blue
nicotine blue(2-)
  • Miscellaneous

    • Chemical Class:

      An organic anion obtained by selective deprotonation of the hydroxy groups at positions 2 and 2' of nicotine blue; major species at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:64998

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

Density:
Boiling Point: 311.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 142.1±30.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -7.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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