ChemSpider 2D Image | 3-(Difluoromethyl)-1-(5-fluoro-2-hydroxy-3-pyridinyl)-1H-pyrazole-4-carbonitrile | C10H5F3N4O

3-(Difluoromethyl)-1-(5-fluoro-2-hydroxy-3-pyridinyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC10H5F3N4O
  • Average mass254.168 Da
  • Monoisotopic mass254.041550 Da
  • ChemSpider ID117277603

More details:

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

1H-Pyrazole-4-carbonitrile, 3-(difluoromethyl)-1-(5-fluoro-2-hydroxy-3-pyridinyl)- [ACD/Index Name]
3-(Difluormethyl)-1-(5-fluor-2-hydroxy-3-pyridinyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-(Difluoromethyl)-1-(5-fluoro-2-hydroxy-3-pyridinyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-(Difluorométhyl)-1-(5-fluoro-2-hydroxy-3-pyridinyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 508.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 261.5±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 56.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 46.55
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 25.23
Polar Surface Area: 75 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 159.6±7.0 cm3

Click to predict properties on the Chemicalize site


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