ChemSpider 2D Image | 2-{[3-(Trifluoromethyl)phenyl]amino}isonicotinic acid | C13H9F3N2O2

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

  • Molecular FormulaC13H9F3N2O2
  • Average mass282.218 Da
  • Monoisotopic mass282.061615 Da
  • ChemSpider ID22107901

More details:






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

2-{[3-(Trifluormethyl)phenyl]amino}isonicotinsäure [German] [ACD/IUPAC Name]
2-{[3-(Trifluoromethyl)phenyl]amino}isonicotinic acid [ACD/IUPAC Name]
42729-22-6 [RN]
4-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
Acide 2-{[3-(trifluorométhyl)phényl]amino}isonicotinique [French] [ACD/IUPAC Name]
[42729-22-6] [RN]
2-((3-(Trifluoromethyl)phenyl)amino)isonicotinic acid
2-([3-(TRIFLUOROMETHYL)PHENYL]AMINO)ISONICOTINIC ACID
2-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
2-{[3-(Trifluoromethyl)phenyl]-amino}isonicotinic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 456.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.9±28.7 °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: 3.92
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 18.05
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
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

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