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Search term: QTAPHGYMJJMLDH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethanamine | C15H14FN3O2S

2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethanamine

  • Molecular FormulaC15H14FN3O2S
  • Average mass319.354 Da
  • Monoisotopic mass319.079071 Da
  • ChemSpider ID24630499

More details:

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

1H-Pyrrolo[2,3-b]pyridine-1-ethanamine, 3-[(3-fluorophenyl)sulfonyl]- [ACD/Index Name]
2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethanamine [ACD/IUPAC Name]
2-{3-[(3-Fluorophényl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}éthanamine [French] [ACD/IUPAC Name]
2-{3-[(3-Fluorphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethanamin [German] [ACD/IUPAC Name]
2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.5±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.58
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.14
ACD/KOC (pH 7.4): 131.17
Polar Surface Area: 86 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 224.0±7.0 cm3

Click to predict properties on the Chemicalize site


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