3-Hydroxy-2-methylpyridine - CAS 1121-25-1
Catalog: |
BB002880 |
Product Name: |
3-Hydroxy-2-methylpyridine |
CAS: |
1121-25-1 |
Synonyms: |
3-Pyridinol, 2-methyl-; 2-Methyl-3-pyridinol; 2-Methyl-3-hydroxypyridine; NSC 27506 |
IUPAC Name: | 2-methylpyridin-3-ol |
Description: | An impurity of Pantoprazole, which is a prescription drug used as a short-term treatment for gastroesophageal reflux disease (GERD). |
Molecular Weight: | 109.13 |
Molecular Formula: | C6H7NO |
Canonical SMILES: | CC1=C(C=CC=N1)O |
InChI: | InChI=1S/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3 |
InChI Key: | AQSRRZGQRFFFGS-UHFFFAOYSA-N |
Boiling Point: | 185-195°C at 70 Torr |
Melting Point: | 164-166°C |
Purity: | ≥95% |
Density: | 1.120±0.06 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | Light Tan Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00082538 |
LogP: | 1.09560 |
GHS Hazard Statement: | H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
19723314 | 20090901 | The B6 database: a tool for the description and classification of vitamin B6-dependent enzymatic activities and of the corresponding protein families | BMC bioinformatics |
19442220 | 20090501 | Synthesis and comparison of antimalarial activity of febrifugine derivatives including halofuginone | Medicinal chemistry (Shariqah (United Arab Emirates)) |
19218190 | 20090401 | Gene identification and characterization of 5-formyl-3-hydroxy-2-methylpyridine 4-carboxylic acid 5-dehydrogenase, an NAD+-dependent dismutase | Journal of biochemistry |
17270714 | 20061201 | Molecular cloning, identification and characterization of 2-methyl-3-hydroxypyridine-5-carboxylic-acid-dioxygenase-coding gene from the nitrogen-fixing symbiotic bacterium Mesorhizobium loti | Journal of bioscience and bioengineering |
Complexity: | 74.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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