1.0 2016-09-30 23:01:09 UTC 2020-05-05 18:40:23 UTC BMDB0002658 BMDB02658 6-Hydroxynicotinic acid 6-Hydroxynicotinate 1,6-dihydro-6-oxo-3-Pyridinecarboxylic acid 1,6-dihydro-6-oxo-Nicotinic acid 2-Hydroxy-5-carboxypyridine 2-Hydroxypyridine-5-carboxylic acid 2-Pyridone-5-carboxylic acid 5-Carboxy-2-pyridone 6-Hydroxy-nicotinic acid 6-Hydroxyniacin 6-Hydroxypyridine-3-carboxylic acid 6-Hydroxynicotinic acid C6H5NO3 139.1088 139.026943031 6-hydroxypyridine-3-carboxylic acid 6-hydroxynicotinic acid 5006-66-6 OC(=O)C1=CN=C(O)C=C1 InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Pyridinecarboxylic acids Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid Aromatic heteromonocyclic compounds Pyridine alkaloids monohydroxypyridine Solid melting_point 310 °C logp 0.71 ALOGPS logs -1.01 ALOGPS logp 0.7 ChemAxon pka_strongest_acidic 3.77 ChemAxon pka_strongest_basic 0.51 ChemAxon iupac 6-hydroxypyridine-3-carboxylic acid ChemAxon average_mass 139.1088 ChemAxon mono_mass 139.026943031 ChemAxon smiles OC(=O)C1=CN=C(O)C=C1 ChemAxon formula C6H5NO3 ChemAxon inchi InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) ChemAxon inchikey BLHCMGRVFXRYRN-UHFFFAOYSA-N ChemAxon polar_surface_area 70.42 ChemAxon refractivity 33.45 ChemAxon polarizability 12.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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::MsIr 1811 Specdb::MsIr 1812 Specdb::MsIr 1813 Specdb::NmrTwoD 1834 Specdb::CMs 870 Specdb::CMs 1266 Specdb::CMs 14933 Specdb::CMs 30061 Specdb::CMs 30467 Specdb::CMs 31423 Specdb::CMs 32034 Specdb::CMs 38456 Specdb::CMs 166170 Specdb::MsMs 6347 Specdb::MsMs 6348 Specdb::MsMs 6349 Specdb::MsMs 6350 Specdb::MsMs 6351 Specdb::MsMs 6352 Specdb::MsMs 6353 Specdb::MsMs 6354 Specdb::MsMs 6355 Specdb::MsMs 6356 Specdb::MsMs 6358 Specdb::MsMs 6359 Specdb::MsMs 6360 Specdb::MsMs 299074 Specdb::MsMs 299075 Specdb::MsMs 299076 Specdb::MsMs 340993 Specdb::MsMs 340994 Specdb::MsMs 340995 Specdb::MsMs 437796 Specdb::MsMs 437797 Specdb::MsMs 437798 Specdb::MsMs 437799 Specdb::MsMs 437800 Specdb::MsMs 439174 Specdb::NmrOneD 1898 Specdb::NmrOneD 122778 Specdb::NmrOneD 122779 Specdb::NmrOneD 122780 Specdb::NmrOneD 122781 Specdb::NmrOneD 122782 Specdb::NmrOneD 122783 Specdb::NmrOneD 122784 Specdb::NmrOneD 122785 Specdb::NmrOneD 122786 Specdb::NmrOneD 122787 Specdb::NmrOneD 122788 Specdb::NmrOneD 122789 Specdb::NmrOneD 122790 Specdb::NmrOneD 122791 Specdb::NmrOneD 122792 Specdb::NmrOneD 122793 Specdb::NmrOneD 122794 Specdb::NmrOneD 122795 Specdb::NmrOneD 122796 Specdb::NmrOneD 122797 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 FDB023041 C01020 72924 65756 16168 C00007415 Boyer, J. H.; Schoen, W. 6-Hydroxynicotinic acid. Organic Syntheses (1956), 36 44-6.