ChemSpider 2D Image | 5-{[4-(Difluoromethyl)-2-thienyl]ethynyl}-2-pyridinecarbonitrile | C13H6F2N2S

5-{[4-(Difluoromethyl)-2-thienyl]ethynyl}-2-pyridinecarbonitrile

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID85081772

More details:

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

2-Pyridinecarbonitrile, 5-[2-[4-(difluoromethyl)-2-thienyl]ethynyl]- [ACD/Index Name]
5-{[4-(Difluormethyl)-2-thienyl]ethinyl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-{[4-(Difluoromethyl)-2-thienyl]ethynyl}-2-pyridinecarbonitrile [ACD/IUPAC Name]
5-{[4-(Difluorométhyl)-2-thiényl]éthynyl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 447.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.5±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.01
ACD/KOC (pH 5.5): 675.47
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.01
ACD/KOC (pH 7.4): 675.47
Polar Surface Area: 65 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 186.0±5.0 cm3

Click to predict properties on the Chemicalize site


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