ChemSpider 2D Image | 5-{2-(Ethylcarbamoyl)-4-[3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]-1h-Pyrrolo[2,3-B]pyridin-5-Yl}pyridine-3-Carboxylic Acid | C20H15F3N6O3

5-{2-(Ethylcarbamoyl)-4-[3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]-1h-Pyrrolo[2,3-B]pyridin-5-Yl}pyridine-3-Carboxylic Acid

  • Molecular FormulaC20H15F3N6O3
  • Average mass444.367 Da
  • Monoisotopic mass444.115784 Da
  • ChemSpider ID28512557

More details:

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

5-{2-(Ethylcarbamoyl)-4-[3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]-1h-Pyrrolo[2,3-B]pyridin-5-Yl}pyridine-3-Carboxylic Acid
0R9
3-Pyridinecarboxylic acid, 5-[2-[(ethylamino)carbonyl]-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]- [ACD/Index Name]
5-{2-(Ethylcarbamoyl)-4-[3-(trifluormethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}nicotinsäure [German] [ACD/IUPAC Name]
5-{2-(Ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}nicotinic acid [ACD/IUPAC Name]
Acide 5-{2-(éthylcarbamoyl)-4-[3-(trifluorométhyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}nicotinique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 430.0±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 279.6±7.0 cm3

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