3-Methoxyisonicotinic Acid - CAS 654663-32-8
Catalog: |
BB032740 |
Product Name: |
3-Methoxyisonicotinic Acid |
CAS: |
654663-32-8 |
Synonyms: |
3-methoxy-4-pyridinecarboxylic acid; 3-methoxypyridine-4-carboxylic acid |
IUPAC Name: | 3-methoxypyridine-4-carboxylic acid |
Description: | 3-Methoxyisonicotinic Acid (CAS# 654663-32-8) is a useful research chemical. |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | COC1=C(C=CN=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO3/c1-11-6-4-8-3-2-5(6)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | BPFAUAVGNNFDID-UHFFFAOYSA-N |
Boiling Point: | 399.5 °C at 760 mmHg |
Density: | 1.284 g/cm3 |
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 |
WO-2021198283-A1 | Inhibitors of antigen presentation by hla-dr | 20200331 |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
WO-2021032148-A1 | Aminopyrazine compounds as hpk1 inhibitor and the use thereof | 20190821 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
PMID | Publication Date | Title | Journal |
21547668 | 20110301 | Constituents from Senecio scandens and their antioxidant bioactivity | Archives of pharmacal research |
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: | 0.3 |
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