ChemSpider 2D Image | 6-[3-(2-Fluorophenyl)-2,5-dihydro-1H-pyrrol-1-yl]nicotinonitrile | C16H12FN3

6-[3-(2-Fluorophenyl)-2,5-dihydro-1H-pyrrol-1-yl]nicotinonitrile

  • Molecular FormulaC16H12FN3
  • Average mass265.285 Da
  • Monoisotopic mass265.101532 Da
  • ChemSpider ID60547095

More details:

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

3-Pyridinecarbonitrile, 6-[3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrol-1-yl]- [ACD/Index Name]
6-[3-(2-Fluorophenyl)-2,5-dihydro-1H-pyrrol-1-yl]nicotinonitrile [ACD/IUPAC Name]
6-[3-(2-Fluorophényl)-2,5-dihydro-1H-pyrrol-1-yl]nicotinonitrile [French] [ACD/IUPAC Name]
6-[3-(2-Fluorphenyl)-2,5-dihydro-1H-pyrrol-1-yl]nicotinonitril [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.4±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.56
ACD/KOC (pH 5.5): 1209.98
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.33
ACD/KOC (pH 7.4): 1216.48
Polar Surface Area: 40 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 204.0±5.0 cm3

Click to predict properties on the Chemicalize site


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