ChemSpider 2D Image | 2-Amino-5-[3-(trifluoromethyl)phenyl]isonicotinic acid | C13H9F3N2O2

2-Amino-5-[3-(trifluoromethyl)phenyl]isonicotinic acid

  • Molecular FormulaC13H9F3N2O2
  • Average mass282.218 Da
  • Monoisotopic mass282.061615 Da
  • ChemSpider ID26521611

More details:






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

1261635-40-8 [RN]
2-Amino-5-[3-(trifluoromethyl)phenyl]isonicotinic acid [ACD/IUPAC Name]
2-Amino-5-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 2-amino-5-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-Amino-5-(3-(trifluoromethyl)phenyl)isonicotinic acid
2-Amino-5-(3-trifluoromethylphenyl)isonicotinic acid
2-Amino-5-[3-(trifluormethyl)phenyl]isonicotinsäure [German] [ACD/IUPAC Name]
Acide 2-amino-5-[3-(trifluorométhyl)phényl]isonicotinique [French] [ACD/IUPAC Name]
MFCD18318034
YA-7783

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

Density: 1.4±0.1 g/cm3
Boiling Point: 464.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.9±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 196.3±3.0 cm3

Click to predict properties on the Chemicalize site






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