This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Soluble in DMSO, the highest concentration (mg/mL): 5.3, the highest concentration (mM): 10.23 (requires heating); soluble in tetramethylpyridine, the highest concentration (mg/mL): 21, the highest concentration (mM): 40.54 ,Insoluble in water
Molecular Weight
518.100 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Exact Mass
517.236 Da
Monoisotopic Mass
517.236 Da
Topological Polar Surface Area
87.100 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
803.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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A2218458
