1.0 2020-05-06 19:42:46 UTC 2020-05-07 14:45:10 UTC BMDB0109704 3-Hydroxypyridine 3-Hydroxypyridine 3-Pyridol beta-Hydroxypyridine m-Hydroxypyridine b-Hydroxypyridine Β-hydroxypyridine 3-Hydroxypyridine hydrochloride 3-Hydroxypyridine isomer 3-Hydroxypyridine, silver (1+) salt 3-Hydroxypyridinium 3-Hydroxypyridine, sodium salt C5H5NO 95.0993 95.037113787 pyridin-3-ol 3-hydroxypyridine 109-00-2 OC1=CN=CC=C1 InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H GRFNBEZIAWKNCO-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydroxypyridines Hydroxypyridines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Aromatic heteromonocyclic compounds a small molecule logp 0.08 ALOGPS logs 0.72 ALOGPS logp 0.45 ChemAxon pka_strongest_acidic 9.16 ChemAxon pka_strongest_basic 5.26 ChemAxon iupac pyridin-3-ol ChemAxon average_mass 95.0993 ChemAxon mono_mass 95.037113787 ChemAxon smiles OC1=CN=CC=C1 ChemAxon formula C5H5NO ChemAxon inchi InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H ChemAxon inchikey GRFNBEZIAWKNCO-UHFFFAOYSA-N ChemAxon polar_surface_area 33.12 ChemAxon refractivity 25.88 ChemAxon polarizability 9.16 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 927 Specdb::CMs 31907 Specdb::CMs 35468 Specdb::MsMs 57798 Specdb::MsMs 57799 Specdb::MsMs 57800 Specdb::MsMs 113571 Specdb::MsMs 113572 Specdb::MsMs 113573 Specdb::MsMs 439205 Specdb::MsMs 439206 Specdb::MsMs 448149 Specdb::MsMs 448150 Specdb::MsMs 452275 Specdb::NmrOneD 261568 Specdb::NmrOneD 261569 Specdb::NmrOneD 261570 Specdb::NmrOneD 261571 Specdb::NmrOneD 261572 Specdb::NmrOneD 261573 Specdb::NmrOneD 261574 Specdb::NmrOneD 261575 Specdb::NmrOneD 261576 Specdb::NmrOneD 261577 Specdb::NmrOneD 261578 Specdb::NmrOneD 261579 Specdb::NmrOneD 261580 Specdb::NmrOneD 261581 Specdb::NmrOneD 261582 Specdb::NmrOneD 261583 Specdb::NmrOneD 261584 Specdb::NmrOneD 261585 Specdb::NmrOneD 261586 Specdb::NmrOneD 261587 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 7971 87440 CPD-12318