ChemSpider 2D Image | (1R,3R)-3-(2-Methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol | C15H18N4O

(1R,3R)-3-(2-Methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol

  • Molecular FormulaC15H18N4O
  • Average mass270.330 Da
  • Monoisotopic mass270.148071 Da
  • ChemSpider ID35033433
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,3R)-3-(2-Methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol [German] [ACD/IUPAC Name]
(1R,3R)-3-(2-Methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol [ACD/IUPAC Name]
(1R,3R)-3-(2-Méthylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)-, (1R,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 570.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.5±30.1 °C
Index of Refraction: 1.769
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 63 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 181.4±7.0 cm3

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