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Search term: HMZQULPVMKITSP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[5-(7-Azabicyclo[2.2.1]hept-2-yl)-2-fluoro-3-pyridinyl]benzonitrile | C18H16FN3

4-[5-(7-Azabicyclo[2.2.1]hept-2-yl)-2-fluoro-3-pyridinyl]benzonitrile

  • Molecular FormulaC18H16FN3
  • Average mass293.338 Da
  • Monoisotopic mass293.132813 Da
  • ChemSpider ID23262468

More details:

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

4-[5-(7-Azabicyclo[2.2.1]hept-2-yl)-2-fluor-3-pyridinyl]benzonitril [German] [ACD/IUPAC Name]
4-[5-(7-Azabicyclo[2.2.1]hept-2-yl)-2-fluoro-3-pyridinyl]benzonitrile [ACD/IUPAC Name]
4-[5-(7-Azabicyclo[2.2.1]hept-2-yl)-2-fluoro-3-pyridinyl]benzonitrile [French] [ACD/IUPAC Name]
4-[5-(7-azabicyclo[2.2.1]hept-2-yl)-2-fluoropyridin-3-yl]benzonitrile
Benzonitrile, 4-[5-(7-azabicyclo[2.2.1]hept-2-yl)-2-fluoro-3-pyridinyl]- [ACD/Index Name]
4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyridin-3-yl]-benzonitrile
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL372638/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.0±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 49 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 227.0±5.0 cm3

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