1.0 2020-02-10 19:45:19 UTC 2020-05-05 18:40:43 UTC BMDB0063662 BMDB63662 2-Hydroxypyridine 2-Pyridinol 2-Pyridone 1-Hydroxy-2-pyridine 1H-Pyridin-2-one 2(1H)-Pyridinone 2(1H)-Pyridone 2-Oxopyridine 2-Pyridinol (acd/name 4.0) 2-Pyridinone 2-Pyridol alpha -Pyridone alpha-Pyridone Pyridin-2-ol Pyridone-2 2-Hydroxypyridine sodium salt 2-Hydroxypyridine C5H5NO 95.0993 95.037113787 pyridin-2-ol 2-pyridone 142-08-5 OC1=CC=CC=N1 InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) UBQKCCHYAOITMY-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 Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Dihydropyridine Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridinone Aromatic heteromonocyclic compounds a small molecule monohydroxypyridine logp 0.64 ALOGPS logs 0.53 ALOGPS logp 1.05 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic 2.43 ChemAxon iupac pyridin-2-ol ChemAxon average_mass 95.0993 ChemAxon mono_mass 95.037113787 ChemAxon smiles OC1=CC=CC=N1 ChemAxon formula C5H5NO ChemAxon inchi InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) ChemAxon inchikey UBQKCCHYAOITMY-UHFFFAOYSA-N ChemAxon polar_surface_area 33.12 ChemAxon refractivity 26.2 ChemAxon polarizability 9.2 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 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::CMs 908 Specdb::CMs 10616 Specdb::CMs 26854 Specdb::CMs 29551 Specdb::CMs 30124 Specdb::CMs 30428 Specdb::CMs 31579 Specdb::CMs 32037 Specdb::CMs 40179 Specdb::CMs 146361 Specdb::MsIr 2947 Specdb::MsIr 2948 Specdb::MsIr 2949 Specdb::MsMs 9515 Specdb::MsMs 9516 Specdb::MsMs 9517 Specdb::MsMs 16187 Specdb::MsMs 16188 Specdb::MsMs 16189 Specdb::MsMs 446290 Specdb::MsMs 446291 Specdb::MsMs 446292 Specdb::MsMs 446293 Specdb::MsMs 446294 Specdb::MsMs 447942 Specdb::MsMs 451972 Specdb::MsMs 2234261 Specdb::MsMs 2253000 Specdb::MsMs 2253494 Specdb::MsMs 2255087 Specdb::MsMs 2255476 Specdb::MsMs 2257165 Specdb::MsMs 2257444 Specdb::MsMs 2259102 Specdb::MsMs 2259443 Specdb::MsMs 2383634 Specdb::MsMs 2383635 Specdb::MsMs 2383636 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover 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 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 corn stover 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 Urine Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB112195 8537 C00007405 C02502 16540 8871 2-Pyridone