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Search term: JWSTVRZOAIEUAO-ZETCQYMHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-L-alaninamide | C16H13ClF4N6O

N2-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-L-alaninamide

  • Molecular FormulaC16H13ClF4N6O
  • Average mass416.761 Da
  • Monoisotopic mass416.077545 Da
  • ChemSpider ID59051834

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-[2-(5-Chlor-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluor-4-pyrimidinyl]-N-(2,2,2-trifluorethyl)-L-alaninamid [German] [ACD/IUPAC Name]
N2-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-L-alaninamide [ACD/IUPAC Name]
N2-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N-(2,2,2-trifluoroéthyl)-L-alaninamide [French] [ACD/IUPAC Name]
N2-[2-(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)-5-Fluoropyrimidin-4-Yl]-N-(2,2,2-Trifluoroethyl)-L-Alaninamide
Propanamide, 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]amino]-N-(2,2,2-trifluoroethyl)-, (2S)- [ACD/Index Name]
4HZ

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

Density: 1.5±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.79
ACD/KOC (pH 5.5): 413.80
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.81
ACD/KOC (pH 7.4): 414.11
Polar Surface Area: 96 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 271.2±3.0 cm3

Click to predict properties on the Chemicalize site


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