ChemSpider 2D Image | 6-(Difluoromethyl)-4-hydroxy-2-(trifluoromethyl)nicotinic acid | C8H4F5NO3

6-(Difluoromethyl)-4-hydroxy-2-(trifluoromethyl)nicotinic acid

  • Molecular FormulaC8H4F5NO3
  • Average mass257.114 Da
  • Monoisotopic mass257.011139 Da
  • ChemSpider ID77060380

More details:

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

3-Pyridinecarboxylic acid, 6-(difluoromethyl)-4-hydroxy-2-(trifluoromethyl)- [ACD/Index Name]
6-(Difluormethyl)-4-hydroxy-2-(trifluormethyl)nicotinsäure [German] [ACD/IUPAC Name]
6-(Difluoromethyl)-4-hydroxy-2-(trifluoromethyl)nicotinic acid [ACD/IUPAC Name]
Acide 6-(difluorométhyl)-4-hydroxy-2-(trifluorométhyl)nicotinique [French] [ACD/IUPAC Name]
1447806-59-8 [RN]
6-(Difluoromethyl)-4-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 405.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 198.7±28.7 °C
Index of Refraction: 1.471
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 155.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement