Compound: picolinic acid
SMILES: O=C(O)c1ncccc1
InChIKey: SIOXPEMLGUPBBT-UHFFFAOYSA-N
Synonyms: picolinic acid, 98-98-6, Pyridine-2-carboxylic acid, 2-Pyridinecarboxylic acid, 2-Carboxypyridine, o-Pyridinecarboxylic acid, Acide picolique, alpha-Pyridinecarboxylic acid, 2-pyridine carboxylic acid, QZV2W997JQ, DTXSID7031903, DTXCID5011903, CHEBI:28747, RefChem:863115, 202-719-7, 2-Picolinic acid, alpha-Picolinic acid, PYRIDINECARBOXYLIC ACID, Pyridine-carboxylique-2, MFCD00006293, NSC 171, 32075-31-3, AI3-19242, Pyridinecarboxylic acid-(2), CHEMBL72628, .alpha.-Pyridinecarboxylic acid, NSC 21209, PCL 016, pyridine, 2-carboxy-, NCGC00165993-01, Nicogamol, Nikogamol, 2-pyridinecarboxylate, 88161-53-9, Acide picolique [French], CAS-98-98-6, PLA, SMR000814709, NSC21209, Pyridine-carboxylique-2 [French], EINECS 202-719-7, UNII-QZV2W997JQ, BRN 0109595, picolinic-acid, picolic acid, CCRIS 8307, 2-picolic acid, TOS-BB-0927, A-Picolinic acid, 6PC, Isoniazid Impurity G, Isoniazid Impurity 9, pyridine carboxylic acid, pyridine-carboxylic acid, 2-pyridincarboxylic acid, pyridinium 2-carboxylate, a-Pyridinecarboxylic acid, 2-pyridine carboxic acid, Pyridine-A-carboxylic acid, 2-pyridine-carboxylic Acid, PICOLINIC ACID [MI], Oprea1_485360, SCHEMBL35207, SCHEMBL36055, 5-22-02-00003 (Beilstein Handbook Reference), MLS001335931, MLS001335932, Picolinic acid (PCL 016), SCHEMBL126487, SCHEMBL129083, SCHEMBL133048, SCHEMBL596455, SCHEMBL869373, Phenyl-(2-pyridyl)acetonitrile, NSC171, orb1302514, orb3141467, SCHEMBL29368665, SIOXPEMLGUPBBT-UHFFFAOYSA-, HMS2232K05, CS-D1196, HY-I0660, JLA48761, STR00111, Tox21_112282, Tox21_202953, BDBM50000407, EBC-03181, s6249, SBB004277, STL164340, AKOS000119032, Tox21_112282_1, AB00685, AC-2105, FP02239, PS-4253, MSK163145-1000M, NCGC00165993-02, NCGC00260499-01, 2-Picolinic acid, ReagentPlus(R), 99%, BP-13036, BP-21456, NCI60_001382, SY001169, DB-014967, NS00014903, P0421, ST50213873, EN300-18459, Picolinic Acid(Discontinued,See C4X-14099), SBI-0635136.0002, 2-Picolinic acid, Vetec(TM) reagent grade, 98%, F043385, Q416682, C9DF3EBC-98F0-4165-BE9A-92F8EE33CDBA, BRD-K60612034-001-07-9, BRD-K60612034-001-08-7, Z57968195, F2191-0113, 2-Pyridinecarboxylic acid Solution in Methanol, 1000ug/mL, InChI=1/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
Theoretical properties:
molecular_formula: C6H5NO2
molecular_weight: 123.11 g/mol
exact_mass: 123.032028402 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 50.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 136.5 °C
solubility: 960 mg/mL at 20 °C
vapor_pressure: 0.00789 [mmHg]
Descriptions:
pubchem: Picolinic acid is a pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. It has a role as a MALDI matrix material and a human metabolite. It is a conjugate acid of a picolinate.
chebi: A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.
chembl: 2-PICOLINIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Picolinic acid is an organic compound with the formula NC5H4CO2H. It is a derivative of pyridine with a carboxylic acid (COOH) substituent at the 2-position. It is an isomer of nicotinic acid and isonicotinic acid, which have the carboxyl side chain at the 3- and 4-positions, respectively. It is a white solid although impure samples can appear tan. The compound is soluble in water.