2-Picolinic acid - CAS 98-98-6
Catalog: |
BB042239 |
Product Name: |
2-Picolinic acid |
CAS: |
98-98-6 |
Synonyms: |
pyridine-2-carboxylic acid |
Application: |
Iron Chelating Agents |
IUPAC Name: | pyridine-2-carboxylic acid |
Description: | Picolinic acid is a metabolite of tryptophan that acts as an anti-infective and immunomodulator. It is produced under inflammatory conditions. |
Molecular Weight: | 123.11 |
Molecular Formula: | C6H5NO2 |
Canonical SMILES: | C1=CC=NC(=C1)C(=O)O |
InChI: | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
InChI Key: | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
Boiling Point: | 292.5±13.0 °C at 760 mmHg |
Melting Point: | 139-142 °C (lit.) |
Flash Point: | 130.7±19.8 °C |
Purity: | 95 % |
Density: | 1.3±0.1 g/cm3 |
Solubility: | In vitro: 10 mM in DMSO |
Appearance: | Off-white to tan powder |
Storage: | Store at RT. |
MDL: | MFCD00006293 |
LogP: | 0.77980 |
Vapor Pressure: | 0.0±0.6 mmHg at 25°C |
GHS Hazard Statement: | H302 (92.16%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3708565-A1 | Pyrimidinyloxyphenylamidines and the use thereof as fungicides | 20200304 |
US-2021188845-A1 | Substituted bicyclic compounds useful as t cell activators | 20191223 |
WO-2021122272-A1 | Low volatile polyamine salts of anionic pesticides | 20191220 |
WO-2021122975-A1 | Substituted thiophene carboxamides and derivatives thereof as microbicides | 20191220 |
WO-2021122976-A1 | Substituted thiophene carboxamides and derivatives thereof | 20191220 |
PMID | Publication Date | Title | Journal |
34555453 | 20211001 | Evaluating the toxicity of escalating dose of oral picolinic acid in Sprague-Dawley rats | Toxicology |
30928400 | 20190525 | Human and murine steroid 5β-reductases (AKR1D1 and AKR1D4): insights into the role of the catalytic glutamic acid | Chemico-biological interactions |
30692170 | 20190401 | Novel 3,6-Dihydroxypicolinic Acid Decarboxylase-Mediated Picolinic Acid Catabolism in Alcaligenes faecalis JQ135 | Journal of bacteriology |
29802182 | 20180801 | A Novel Degradation Mechanism for Pyridine Derivatives in Alcaligenes faecalis JQ135 | Applied and environmental microbiology |
25173999 | 20141001 | An allosteric modulator to control endogenous G protein-coupled receptors with light | Nature chemical biology |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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