2-Methoxypyridine-3-carboxylic acid - CAS 16498-81-0
Catalog: |
BB012152 |
Product Name: |
2-Methoxypyridine-3-carboxylic acid |
CAS: |
16498-81-0 |
Synonyms: |
2-methoxypyridine-3-carboxylic acid |
IUPAC Name: | 2-methoxypyridine-3-carboxylic acid |
Description: | 2-Methoxynicotinic Acid can be used as potenti antifungal agent. |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | COC1=C(C=CC=N1)C(=O)O |
InChI: | InChI=1S/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10) |
InChI Key: | FTEZJSXSARPZHJ-UHFFFAOYSA-N |
Boiling Point: | 285.5 ℃ at 760 mmHg |
Density: | 1.284 g/cm3 |
MDL: | MFCD00085110 |
LogP: | 0.78840 |
GHS Hazard Statement: | H315 (10.42%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979672-A | 11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof | 20210305 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2020236692-A1 | Pyridinone derivatives as selective cytotoxic agents against hiv infected cells | 20190522 |
CN-109503473-B | Synthesis method of 2-methoxy-3-amino-5-pyridine boronic acid pinacol ester and intermediate thereof | 20190107 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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