ChemSpider 2D Image | 2-{[3-(Trifluoromethyl)phenyl]amino}-3-(~2~H_3_)pyridinecarboxylic acid | C13H6D3F3N2O2

2-{[3-(Trifluoromethyl)phenyl]amino}-3-(2H3)pyridinecarboxylic acid

  • Molecular FormulaC13H6D3F3N2O2
  • Average mass285.237 Da
  • Monoisotopic mass285.080444 Da
  • ChemSpider ID78057692
  • Non-standard isotope - Non-standard isotope


More details:






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

2-{[3-(Trifluormethyl)phenyl]amino}-3-(2H3)pyridincarbonsäure [German] [ACD/IUPAC Name]
2-{[3-(Trifluoromethyl)phenyl]amino}-3-(2H3)pyridinecarboxylic acid [ACD/IUPAC Name]
3-Pyridine-4,5,6-d3-carboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
Acide 2-{[3-(trifluorométhyl)phényl]amino}-3-(2H3)pyridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 378.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 182.4±27.9 °C
Index of Refraction: 1.589
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 12.48
ACD/KOC (pH 5.5): 46.50
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 7.43
Polar Surface Area: 62 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 194.7±3.0 cm3

Click to predict properties on the Chemicalize site






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