ChemSpider 2D Image | 2-[6'-Oxo-1'-(~2~H_5_)phenyl-1',6'-dihydro-2,3'-bipyridin-5'-yl]benzonitrile | C23H10D5N3O

2-[6'-Oxo-1'-(2H5)phenyl-1',6'-dihydro-2,3'-bipyridin-5'-yl]benzonitrile

  • Molecular FormulaC23H10D5N3O
  • Average mass354.415 Da
  • Monoisotopic mass354.152893 Da
  • ChemSpider ID58794443

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[6'-Oxo-1'-(2H5)phenyl-1',6'-dihydro-2,3'-bipyridin-5'-yl]benzonitril [German] [ACD/IUPAC Name]
2-[6'-Oxo-1'-(2H5)phenyl-1',6'-dihydro-2,3'-bipyridin-5'-yl]benzonitrile [ACD/IUPAC Name]
2-[6'-Oxo-1'-(2H5)phényl-1',6'-dihydro-2,3'-bipyridin-5'-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[1',6'-dihydro-6'-oxo-1'-(phenyl-d5)[2,3'-bipyridin]-5'-yl]- [ACD/Index Name]
2012598-62-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.2±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 84.07
ACD/KOC (pH 5.5): 794.27
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.07
ACD/KOC (pH 7.4): 926.61
Polar Surface Area: 57 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 264.8±5.0 cm3

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