1.0 2010-04-08 22:06:31 UTC 2025-11-18 22:58:11 UTC FDB005074 2-Methyl-5-phenylpyridine 2-methyl-5-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 2-methyl-5-phenylpyridine can be found in sweet orange, which makes 2-methyl-5-phenylpyridine a potential biomarker for the consumption of this food product. 2-Methyl-5-phenylpyridine 2-Picoline, 5-phenyl- Pyridine, 2-methyl-5-phenyl- C12H11N 169.2224 169.089149357 2-methyl-5-phenylpyridine 2-methyl-5-phenylpyridine CC1=CC=C(C=N1)C1=CC=CC=C1 InChI=1S/C12H11N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-9H,1H3 JXNAIOCJWBJGFQ-UHFFFAOYSA-N 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. Phenylpyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Phenylpyridines Aromatic heteromonocyclic compounds Azacyclic compounds Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Organonitrogen compounds Organopnictogen compounds 3-phenylpyridine Aromatic heteromonocyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Methylpyridine Monocyclic benzene moiety Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 2.53 ChemAxon pka_strongest_basic 5.38 ChemAxon iupac 2-methyl-5-phenylpyridine ChemAxon average_mass 169.2224 ChemAxon mono_mass 169.089149357 ChemAxon smiles CC1=CC=C(C=N1)C1=CC=CC=C1 ChemAxon formula C12H11N ChemAxon inchi InChI=1S/C12H11N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-9H,1H3 ChemAxon inchikey JXNAIOCJWBJGFQ-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 53.63 ChemAxon polarizability 19.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58722 Specdb::MsMs 58723 Specdb::MsMs 58724 Specdb::MsMs 114714 Specdb::MsMs 114715 Specdb::MsMs 114716 Specdb::MsMs 3601340 Specdb::MsMs 3601341 Specdb::MsMs 3601342 Specdb::MsMs 3601343 Specdb::MsMs 3601344 Specdb::MsMs 3601345 Sweet orange Type 1 specific Citrus sinensis 2711