1.0 2010-04-08 22:10:43 UTC 2018-05-29 01:05:18 UTC FDB013464 4-Acetylimidazo[4,5-c]pyridine Maillard production derived from histidine and glucose 1-(1H-Imidazo[4,5-c]pyridin-4-yl)ethanone, 9CI 2-Acetylpyrido[3,4-d]imidazole (incorr.) C8H7N3O 161.1607 161.058911861 1-{3H-imidazo[4,5-c]pyridin-4-yl}ethan-1-one 1-{3H-imidazo[4,5-c]pyridin-4-yl}ethanone 146874-38-6 CC(=O)C1=NC=CC2=C1NC=N2 InChI=1S/C8H7N3O/c1-5(12)7-8-6(2-3-9-7)10-4-11-8/h2-4H,1H3,(H,10,11) WTOOGKIOBGXDDY-UHFFFAOYSA-N belongs to the class of organic compounds known as imidazo-[4,5-c]pyridines. These are organic heterocyclic compounds containing an imidazo-[4,5-c]pyridine ring system. Imidazo-[4,5-c]pyridine consists of an imidazole ring fused to a pyridine, so that the three ring nitrogen atoms are at the 1-, 2-, and 5-position, respectively. Imidazo-[4,5-c]pyridines Organic compounds Organoheterocyclic compounds Imidazopyridines Imidazo-[4,5-c]pyridines Aromatic heteropolycyclic compounds Aryl alkyl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazo-[4,5-c]pyridine Imidazole Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine logp 0.42 ALOGPS logs -1.13 ALOGPS solubility 1.19e+01 g/l ALOGPS logp -0.015 ChemAxon pka_strongest_acidic 9.77 ChemAxon pka_strongest_basic 4.82 ChemAxon iupac 1-{3H-imidazo[4,5-c]pyridin-4-yl}ethan-1-one ChemAxon average_mass 161.1607 ChemAxon mono_mass 161.058911861 ChemAxon smiles CC(=O)C1=NC=CC2=C1NC=N2 ChemAxon formula C8H7N3O ChemAxon inchi InChI=1S/C8H7N3O/c1-5(12)7-8-6(2-3-9-7)10-4-11-8/h2-4H,1H3,(H,10,11) ChemAxon inchikey WTOOGKIOBGXDDY-UHFFFAOYSA-N ChemAxon polar_surface_area 58.64 ChemAxon refractivity 42.84 ChemAxon polarizability 15.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23429 Specdb::CMs 136623 Specdb::CMs 144357 Specdb::MsIr 6723 Specdb::MsIr 6724 Specdb::MsIr 6725 Specdb::NmrOneD 128188 Specdb::NmrOneD 128189 Specdb::NmrOneD 128190 Specdb::NmrOneD 128191 Specdb::NmrOneD 128192 Specdb::NmrOneD 128193 Specdb::NmrOneD 128194 Specdb::NmrOneD 128195 Specdb::NmrOneD 128196 Specdb::NmrOneD 128197 Specdb::NmrOneD 128198 Specdb::NmrOneD 128199 Specdb::NmrOneD 128200 Specdb::NmrOneD 128201 Specdb::NmrOneD 128202 Specdb::NmrOneD 128203 Specdb::NmrOneD 128204 Specdb::NmrOneD 128205 Specdb::NmrOneD 128206 Specdb::NmrOneD 128207 Specdb::MsMs 49977 Specdb::MsMs 49978 Specdb::MsMs 49979 Specdb::MsMs 172554 Specdb::MsMs 172555 Specdb::MsMs 172556 Specdb::MsMs 2707598 Specdb::MsMs 2707599 Specdb::MsMs 2707600 Specdb::MsMs 3000694 Specdb::MsMs 3000695 Specdb::MsMs 3000696 HMDB34888 #<Reference:0x000055ce3238a6c0>