ChemSpider 2D Image | 4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinecarbonitrile | C10H5F3N4O

4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinecarbonitrile

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID53235709

More details:






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

2-Pyridinecarbonitrile, 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
4-[3-(2,2,2-Trifluorethyl)-1,2,4-oxadiazol-5-yl]-2-pyridincarbonitril [German] [ACD/IUPAC Name]
4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinecarbonitrile [ACD/IUPAC Name]
4-[3-(2,2,2-Trifluoroéthyl)-1,2,4-oxadiazol-5-yl]-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 384.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.4±30.7 °C
Index of Refraction: 1.521
Molar Refractivity: 51.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 104.99
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 104.99
Polar Surface Area: 76 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 169.3±5.0 cm3

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