ChemSpider 2D Image | 5-Nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]nicotinic acid | C9H8F3N3O5

5-Nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]nicotinic acid

  • Molecular FormulaC9H8F3N3O5
  • Average mass295.172 Da
  • Monoisotopic mass295.041595 Da
  • ChemSpider ID56594708

More details:

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

3-Pyridinecarboxylic acid, 5-nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]- [ACD/Index Name]
5-Nitro-6-[(3,3,3-trifluor-2-hydroxypropyl)amino]nicotinsäure [German] [ACD/IUPAC Name]
5-Nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]nicotinic acid [ACD/IUPAC Name]
Acide 5-nitro-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]nicotinique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 497.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.7±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 173.8±3.0 cm3

Click to predict properties on the Chemicalize site


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