1.0 2020-05-06 19:42:33 UTC 2020-05-07 14:45:08 UTC BMDB0109700 2,3-Dihydroxypyridine 2,3-Pyridinediol 3-Hydroxy-2-pyridone 3-Hydroxy-2-pyridinone 2,3-Dihydroxypyridine C5H5NO2 111.0987 111.032028409 pyridine-2,3-diol 2,3-dihydroxypyridine 16867-04-2 OC1=C(O)N=CC=C1 InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8) GGOZGYRTNQBSSA-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinones. Pyridinones are compounds containing a pyridine ring, which bears a ketone. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Pyridinones Azacyclic compounds Dihydropyridines Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Dihydropyridine Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridinone Aromatic heteromonocyclic compounds logp 0.03 ALOGPS logs 0.14 ALOGPS logp 0.74 ChemAxon pka_strongest_acidic 8.88 ChemAxon pka_strongest_basic 2.71 ChemAxon iupac pyridine-2,3-diol ChemAxon average_mass 111.0987 ChemAxon mono_mass 111.032028409 ChemAxon smiles OC1=C(O)N=CC=C1 ChemAxon formula C5H5NO2 ChemAxon inchi InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8) ChemAxon inchikey GGOZGYRTNQBSSA-UHFFFAOYSA-N ChemAxon polar_surface_area 53.35 ChemAxon refractivity 28.18 ChemAxon polarizability 10.07 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 83517 Specdb::MsMs 83518 Specdb::MsMs 83519 Specdb::MsMs 145131 Specdb::MsMs 145132 Specdb::MsMs 145133 Specdb::MsMs 3400759 Specdb::MsMs 3400760 Specdb::MsMs 3400761 Specdb::MsMs 3416696 Specdb::MsMs 3416697 Specdb::MsMs 3416698 Specdb::CMs 1021 Specdb::CMs 104542 Specdb::CMs 116534 Specdb::CMs 814989 Specdb::CMs 814990 Specdb::CMs 814991 Specdb::CMs 814992 Specdb::CMs 814993 Specdb::CMs 814994 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 26153 28115 131454 CPD-14078