1.0 2010-04-08 22:10:55 UTC 2018-05-29 01:07:57 UTC FDB013810 1',2'-Dihydro-1,1'-dimethyl-2'-oxo-4,4'-bipyridinium(1+) Metabolite of 1,1'-Dimethyl-4,4'-bipyridinium(2+) <ht>FZK09-A</ht> produced by plant residue microorganisms and rat liver homogenates, also formed by photolysis C12H13N2O 201.2444 201.102788048 1-methyl-4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)pyridin-1-ium 1-methyl-4-(1-methyl-2-oxopyridin-4-yl)pyridin-1-ium CN1C=CC(=CC1=O)C1=CC=[N+](C)C=C1 InChI=1S/C12H13N2O/c1-13-6-3-10(4-7-13)11-5-8-14(2)12(15)9-11/h3-9H,1-2H3/q+1 JJAUDUMTDBMCJW-UHFFFAOYSA-N belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. Bipyridines and oligopyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Bipyridines and oligopyridines Aromatic heteromonocyclic compounds Azacyclic compounds Dihydropyridines Heteroaromatic compounds Hydrocarbon derivatives Lactams N-methylpyridinium compounds Organic cations Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridinium derivatives Pyridinones Aromatic heteromonocyclic compound Azacycle Bipyridine Dihydropyridine Heteroaromatic compound Hydrocarbon derivative Hydropyridine Lactam N-methylpyridinium Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridinium Pyridinone logp -3.14 ALOGPS logs -2.97 ALOGPS solubility 2.51e-01 g/l ALOGPS melting_point Mp 280-290 dec. (iodide) logp -3.4 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-methyl-4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)pyridin-1-ium ChemAxon average_mass 201.2444 ChemAxon mono_mass 201.102788048 ChemAxon smiles CN1C=CC(=CC1=O)C1=CC=[N+](C)C=C1 ChemAxon formula C12H13N2O ChemAxon inchi InChI=1S/C12H13N2O/c1-13-6-3-10(4-7-13)11-5-8-14(2)12(15)9-11/h3-9H,1-2H3/q+1 ChemAxon inchikey JJAUDUMTDBMCJW-UHFFFAOYSA-N ChemAxon polar_surface_area 24.19 ChemAxon refractivity 61.32 ChemAxon polarizability 22.46 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 9626 Specdb::CMs 160712 Specdb::NmrOneD 130298 Specdb::NmrOneD 130299 Specdb::NmrOneD 130300 Specdb::NmrOneD 130301 Specdb::NmrOneD 130302 Specdb::NmrOneD 130303 Specdb::NmrOneD 130304 Specdb::NmrOneD 130305 Specdb::NmrOneD 130306 Specdb::NmrOneD 130307 Specdb::NmrOneD 130308 Specdb::NmrOneD 130309 Specdb::NmrOneD 130310 Specdb::NmrOneD 130311 Specdb::NmrOneD 130312 Specdb::NmrOneD 130313 Specdb::NmrOneD 130314 Specdb::NmrOneD 130315 Specdb::NmrOneD 130316 Specdb::NmrOneD 130317 Specdb::MsMs 76416 Specdb::MsMs 76417 Specdb::MsMs 76418 Specdb::MsMs 136242 Specdb::MsMs 136243 Specdb::MsMs 136244 Specdb::MsMs 2894504 Specdb::MsMs 2894505 Specdb::MsMs 2894506 HMDB35170 #<Reference:0x000055ce3306a840>