ChemSpider 2D Image | compound 89S [PMID: 19115845] | C13H14FN5O

compound 89S [PMID: 19115845]

  • Molecular FormulaC13H14FN5O
  • Average mass275.282 Da
  • Monoisotopic mass275.118225 Da
  • ChemSpider ID24720450
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7S)-2-(2-Amino-4-pyrimidinyl)-7-(2-fluorethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-on [German] [ACD/IUPAC Name]
(7S)-2-(2-Amino-4-pyrimidinyl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one [ACD/IUPAC Name]
(7S)-2-(2-Amino-4-pyrimidinyl)-7-(2-fluoroéthyl)-1,5,6,7-tétrahydro-4H-pyrrolo[3,2-c]pyridin-4-one [French] [ACD/IUPAC Name]
compound 89S [PMID: 19115845]
(7S)-2-(2-AMINO-4-PYRIMIDINYL)-7-(2-FLUOROETHYL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO-[3,2-C]PYRIDIN-4-ONE
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
(S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 45.78
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 52.31
Polar Surface Area: 97 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 204.1±3.0 cm3

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