ChemSpider 2D Image | 1-Pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid | C13H16N2O2

1-Pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID116082105

More details:

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

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-pentyl- [ACD/Index Name]
1-Pentyl-1H-pyrrolo[2,3-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
1-Pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
Acide 1-pentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.7±23.2 °C
Index of Refraction: 1.594
Molar Refractivity: 65.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 12.85
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 55 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

Click to predict properties on the Chemicalize site


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