1.0 2016-09-30 22:53:08 UTC 2020-05-11 20:48:59 UTC BMDB0002243 BMDB02243 Picolinic acid 2-Carboxypyridine 2-Picolinic acid 2-Pyridinecarboxylic acid alpha-Picolinic acid alpha-Pyridinecarboxylic acid O-Pyridinecarboxylic acid PYRIDINE-2-carboxylIC ACID 2-Picolinate 2-Pyridinecarboxylate a-Picolinate a-Picolinic acid alpha-Picolinate Α-picolinate Α-picolinic acid a-Pyridinecarboxylate a-Pyridinecarboxylic acid alpha-Pyridinecarboxylate Α-pyridinecarboxylate Α-pyridinecarboxylic acid O-Pyridinecarboxylate PYRIDINE-2-carboxylate Picolinate 2-Methoxy-5-aminopyridine 4,5-Dehydropipecolic acid 5-amino-2-Fluoropyridine 5-amino-2-Methoxypyridine 5-amino-2-Pyridinecarboxylic acid 5-Aminopicolinic acid 5-Aminopyridine-2-carboxylic acid 6-Methoxy-pyridin-3-ylamine Acide picolique L-Baikiain Phenyl-(2-pyridyl)acetonitrile PLA Pyridine-carboxylique-2 Pyridinecarboxylic acid-(2) Iron(III) picolinate Zinc picolinate Picolinic acid, sodium salt 2-Pyridine carboxylic acid Calcium dipicolinate trihydrate Picolinic acid, hydrochloride Chromium picolinate C6H5NO2 123.1094 123.032028409 pyridine-2-carboxylic acid picolinic acid 98-98-6 OC(=O)C1=CC=CC=N1 InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-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 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 Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid Aromatic heteromonocyclic compounds Piperidine alkaloids pyridinemonocarboxylic acid Solid melting_point 136.5 °C water_solubility 960 mg/mL at 20 °C logp 0.72 HANSCH,C ET AL. (1995) logp 0.22 ALOGPS logs -0.30 ALOGPS logp -0.65 ChemAxon pka_strongest_acidic 1 ChemAxon pka_strongest_basic 5.52 ChemAxon iupac pyridine-2-carboxylic acid ChemAxon average_mass 123.1094 ChemAxon mono_mass 123.032028409 ChemAxon smiles OC(=O)C1=CC=CC=N1 ChemAxon formula C6H5NO2 ChemAxon inchi InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) ChemAxon inchikey SIOXPEMLGUPBBT-UHFFFAOYSA-N ChemAxon polar_surface_area 50.19 ChemAxon refractivity 30.79 ChemAxon polarizability 11.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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::NmrTwoD 1807 Specdb::MsIr 1707 Specdb::MsIr 1708 Specdb::MsIr 1709 Specdb::CMs 811 Specdb::CMs 1057 Specdb::CMs 21361 Specdb::CMs 26855 Specdb::CMs 30435 Specdb::CMs 31404 Specdb::CMs 32028 Specdb::CMs 38338 Specdb::CMs 164778 Specdb::MsMs 2043 Specdb::MsMs 2044 Specdb::MsMs 2045 Specdb::MsMs 5751 Specdb::MsMs 5752 Specdb::MsMs 5753 Specdb::MsMs 5754 Specdb::MsMs 5755 Specdb::MsMs 5756 Specdb::MsMs 10217 Specdb::MsMs 10218 Specdb::MsMs 10219 Specdb::MsMs 16889 Specdb::MsMs 16890 Specdb::MsMs 16891 Specdb::MsMs 445166 Specdb::MsMs 445167 Specdb::MsMs 446742 Specdb::MsMs 446743 Specdb::MsMs 446744 Specdb::MsMs 446745 Specdb::MsMs 446746 Specdb::MsMs 451907 Specdb::MsMs 2228141 Specdb::MsMs 2252487 Specdb::NmrOneD 1868 Specdb::NmrOneD 115658 Specdb::NmrOneD 115659 Specdb::NmrOneD 115660 Specdb::NmrOneD 115661 Specdb::NmrOneD 115662 Specdb::NmrOneD 115663 Specdb::NmrOneD 115664 Specdb::NmrOneD 115665 Specdb::NmrOneD 115666 Specdb::NmrOneD 115667 Specdb::NmrOneD 115668 Specdb::NmrOneD 115669 Specdb::NmrOneD 115670 Specdb::NmrOneD 115671 Specdb::NmrOneD 115672 Specdb::NmrOneD 115673 Specdb::NmrOneD 115674 Specdb::NmrOneD 115675 Specdb::NmrOneD 115676 Specdb::NmrOneD 115677 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 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022926 993 1018 C00002063 28747 C10164 PICOLINATE Picolinic_acid Hagedorn, Scott R.; East, Anthony J.; Barer, Sol J. Production of picolinic acid and pyridine products by Pseudomonas. U.S. (1989), 11 pp.