ChemSpider 2D Image | 4-Amino-6-(hydroxymethyl)-5-(trifluoromethoxy)nicotinonitrile | C8H6F3N3O2

4-Amino-6-(hydroxymethyl)-5-(trifluoromethoxy)nicotinonitrile

  • Molecular FormulaC8H6F3N3O2
  • Average mass233.147 Da
  • Monoisotopic mass233.041214 Da
  • ChemSpider ID57340564

More details:

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

3-Pyridinecarbonitrile, 4-amino-6-(hydroxymethyl)-5-(trifluoromethoxy)- [ACD/Index Name]
4-Amino-6-(hydroxymethyl)-5-(trifluormethoxy)nicotinonitril [German] [ACD/IUPAC Name]
4-Amino-6-(hydroxymethyl)-5-(trifluoromethoxy)nicotinonitrile [ACD/IUPAC Name]
4-Amino-6-(hydroxyméthyl)-5-(trifluorométhoxy)nicotinonitrile [French] [ACD/IUPAC Name]
1806000-79-2 [RN]
4-Amino-5-cyano-3-(trifluoromethoxy)pyridine-2-methanol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 351.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 166.6±27.9 °C
Index of Refraction: 1.527
Molar Refractivity: 45.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.38
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 51.42
Polar Surface Area: 92 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 148.3±5.0 cm3

Click to predict properties on the Chemicalize site


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