ChemSpider 2D Image | 2,4-diamino-5-oxo-chromeno[2,3-b]pyridine-3-carbonitrile | C13H8N4O2

2,4-diamino-5-oxo-chromeno[2,3-b]pyridine-3-carbonitrile

  • Molecular FormulaC13H8N4O2
  • Average mass252.228 Da
  • Monoisotopic mass252.064728 Da
  • ChemSpider ID28560688

More details:

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

2,4-Diamino-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4-Diamino-5-oxo-5H-chromeno[2,3-b]pyridin-3-carbonitril [German] [ACD/IUPAC Name]
2,4-Diamino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile [ACD/IUPAC Name]
2,4-Diamino-5-oxo-5H-chroméno[2,3-b]pyridine-3-carbonitrile [French] [ACD/IUPAC Name]
2,4-DIAMINO-5-OXOCHROMENO[2,3-B]PYRIDINE-3-CARBONITRILE
5H-[1]Benzopyrano[2,3-b]pyridine-3-carbonitrile, 2,4-diamino-5-oxo- [ACD/Index Name]
635681-58-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.758
Molar Refractivity: 65.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.29
ACD/KOC (pH 5.5): 607.21
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.29
ACD/KOC (pH 7.4): 607.21
Polar Surface Area: 115 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 103.7±5.0 dyne/cm
Molar Volume: 159.5±5.0 cm3

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