4-Methoxy-pyridine-2-carboxylic acid - CAS 29082-91-5
Catalog: |
BB020085 |
Product Name: |
4-Methoxy-pyridine-2-carboxylic acid |
CAS: |
29082-91-5 |
Synonyms: |
4-methoxypyridine-2-carboxylic acid |
IUPAC Name: | 4-methoxypyridine-2-carboxylic acid |
Description: | 4-Methoxy-pyridine-2-carboxylic acid (CAS# 29082-91-5) is an intermediate to prepare diacid analogs as glycogen phosphorylase inhibitors. It is also used to prepare allyl phenylethyl ether via ruthenium-pyridinecarboxylic acid-catalyzed allylation. |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | COC1=CC(=NC=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO3/c1-11-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | UELRAKDBDJRXST-UHFFFAOYSA-N |
Boiling Point: | 330.9 ℃ at 760 mmHg |
Melting Point: | 197-198 ℃ |
Purity: | 95 % |
Density: | 1.284 g/cm3 |
MDL: | MFCD04115716 |
LogP: | 0.78840 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851677-A | Synthesis method of imidazopyridine or pyrimidine derivative | 20191126 |
WO-2020167663-A1 | Anti-fibrotic neu3 inhibitor compounds and methods of use | 20190212 |
WO-2020127960-A1 | Disubstituted alkyne derivatives | 20181221 |
EP-3898588-A1 | Disubstituted alkyne derivatives | 20181221 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
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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