ChemSpider 2D Image | 3-Fluoro-5-(2-pyridinylethynyl)benzonitrile | C14H7FN2

3-Fluoro-5-(2-pyridinylethynyl)benzonitrile

  • Molecular FormulaC14H7FN2
  • Average mass222.217 Da
  • Monoisotopic mass222.059326 Da
  • ChemSpider ID26398742

More details:






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

3-Fluor-5-(2-pyridinylethinyl)benzonitril [German] [ACD/IUPAC Name]
3-FLUORO-5-((PYRIDIN-2-YL)ETHYNYL)BENZONITRILE
3-Fluoro-5-(2-pyridinylethynyl)benzonitrile [ACD/IUPAC Name]
3-Fluoro-5-(2-pyridinyléthynyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-5-[2-(2-pyridinyl)ethynyl]- [ACD/Index Name]
864063-10-5 [RN]
L5L1CU25VK
UNII:L5L1CU25VK
UNII-L5L1CU25VK

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 386.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.8±26.5 °C
Index of Refraction: 1.622
Molar Refractivity: 61.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.40
ACD/KOC (pH 5.5): 902.10
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.42
ACD/KOC (pH 7.4): 902.32
Polar Surface Area: 37 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 173.9±5.0 cm3

Click to predict properties on the Chemicalize site






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