ChemSpider 2D Image | 1-(6-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1-hydroxy-2-butanyl]urea | C11H14BrN5O2

1-(6-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1-hydroxy-2-butanyl]urea

  • Molecular FormulaC11H14BrN5O2
  • Average mass328.165 Da
  • Monoisotopic mass327.033081 Da
  • ChemSpider ID35234350

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(6-Brom[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1-hydroxy-2-butanyl]harnstoff [German] [ACD/IUPAC Name]
1-(6-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1-hydroxy-2-butanyl]urea [ACD/IUPAC Name]
1-(6-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[(2R)-1-hydroxy-2-butanyl]urée [French] [ACD/IUPAC Name]
Urea, N-(6-bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N'-[(1R)-1-(hydroxymethyl)propyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 27.85
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 92 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 188.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement