ChemSpider 2D Image | N~2~-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N,N-dimethyl-L-alaninamide | C16H16ClFN6O

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

  • Molecular FormulaC16H16ClFN6O
  • Average mass362.789 Da
  • Monoisotopic mass362.105804 Da
  • ChemSpider ID35035594

  • 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,N-dimethyl-L-alaninamid [German] [ACD/IUPAC Name]
N2-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N,N-dimethyl-L-alaninamide [ACD/IUPAC Name]
N2-[2-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]-N,N-diméthyl-L-alaninamide [French] [ACD/IUPAC Name]
N2-[2-(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)-5-Fluoropyrimidin-4-Yl]-N,N-Dimethyl-L-Alaninamide
Propanamide, 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-4-pyrimidinyl]amino]-N,N-dimethyl-, (2S)- [ACD/Index Name]

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

704 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.27
ACD/KOC (pH 5.5): 289.22
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.28
ACD/KOC (pH 7.4): 289.42
Polar Surface Area: 87 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 253.2±3.0 cm3

Click to predict properties on the Chemicalize site


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