ChemSpider 2D Image | 6-[(3S)-2,6-Dioxo-3-piperidinyl]-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione | C12H9N3O4

6-[(3S)-2,6-Dioxo-3-piperidinyl]-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

  • Molecular FormulaC12H9N3O4
  • Average mass259.218 Da
  • Monoisotopic mass259.059296 Da
  • ChemSpider ID122905716

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-[(3S)-2,6-dioxo-3-piperidinyl]- [ACD/Index Name]
6-[(3S)-2,6-Dioxo-3-piperidinyl]-5H-pyrrolo[3,4-b]pyridin-5,7(6H)-dion [German] [ACD/IUPAC Name]
6-[(3S)-2,6-Dioxo-3-piperidinyl]-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione [ACD/IUPAC Name]
6-[(3S)-2,6-Dioxo-3-pipéridinyl]-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 545.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.9±27.3 °C
Index of Refraction: 1.654
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.93
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.92
Polar Surface Area: 96 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


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