ChemSpider 2D Image | 5-(1H-Pyrrolo[2,3-b]pyridin-5-ylethynyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile | C17H9N5

5-(1H-Pyrrolo[2,3-b]pyridin-5-ylethynyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

  • Molecular FormulaC17H9N5
  • Average mass283.287 Da
  • Monoisotopic mass283.085785 Da
  • ChemSpider ID91199149

More details:

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

1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]- [ACD/Index Name]
5-(1H-Pyrrolo[2,3-b]pyridin-5-ylethinyl)-1H-pyrrolo[2,3-b]pyridin-3-carbonitril [German] [ACD/IUPAC Name]
5-(1H-Pyrrolo[2,3-b]pyridin-5-ylethynyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile [ACD/IUPAC Name]
5-(1H-Pyrrolo[2,3-b]pyridin-5-yléthynyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 652.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 186.9±15.3 °C
Index of Refraction: 1.818
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.16
ACD/KOC (pH 5.5): 885.82
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.49
ACD/KOC (pH 7.4): 888.98
Polar Surface Area: 81 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 107.2±5.0 dyne/cm
Molar Volume: 188.4±5.0 cm3

Click to predict properties on the Chemicalize site


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