ChemSpider 2D Image | 3-[3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid | C16H14N2O2

3-[3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid

  • Molecular FormulaC16H14N2O2
  • Average mass266.295 Da
  • Monoisotopic mass266.105530 Da
  • ChemSpider ID35033439

More details:

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

3-[3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid [ACD/IUPAC Name]
3-[3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)- [ACD/Index Name]
0RA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 523.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.6±27.3 °C
Index of Refraction: 1.677
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 18.42
ACD/KOC (pH 5.5): 147.75
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.64
Polar Surface Area: 66 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

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