ChemSpider 2D Image | 1-(4-Hydroxy-3-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile | C10H5F3N4O

1-(4-Hydroxy-3-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID117281429

More details:

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

1-(4-Hydroxy-3-pyridinyl)-3-(trifluormethyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-(4-Hydroxy-3-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-(4-Hydroxy-3-pyridinyl)-3-(trifluorométhyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carbonitrile, 1-(4-hydroxy-3-pyridinyl)-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 56.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.50
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 75 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 165.0±7.0 cm3

Click to predict properties on the Chemicalize site


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