ChemSpider 2D Image | 2-{[3-Chloro-2-(~2~H_3_)methyl(~2~H_3_)phenyl]amino}nicotinic acid | C13H5D6ClN2O2

2-{[3-Chloro-2-(2H3)methyl(2H3)phenyl]amino}nicotinic acid

  • Molecular FormulaC13H5D6ClN2O2
  • Average mass268.729 Da
  • Monoisotopic mass268.088562 Da
  • ChemSpider ID58779152
  • Non-standard isotope - Non-standard isotope


More details:






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

2-{[3-Chlor-2-(2H3)methyl(2H3)phenyl]amino}nicotinsäure [German] [ACD/IUPAC Name]
2-{[3-Chloro-2-(2H3)methyl(2H3)phenyl]amino}nicotinic acid [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[[5-chloro-6-(methyl-d3)phenyl-2,3,4-d3]amino]- [ACD/Index Name]
Acide 2-{[3-chloro-2-(2H3)méthyl(2H3)phényl]amino}nicotinique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 410.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.9±28.7 °C
Index of Refraction: 1.665
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 15.83
ACD/KOC (pH 5.5): 54.55
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 9.03
Polar Surface Area: 62 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site






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