2-Methoxy-3-pyridylboronic Acid - CAS 163105-90-6
Catalog: |
BB011943 |
Product Name: |
2-Methoxy-3-pyridylboronic Acid |
CAS: |
163105-90-6 |
Synonyms: |
(2-methoxy-3-pyridinyl)boronic acid; (2-methoxypyridin-3-yl)boronic acid |
IUPAC Name: | (2-methoxypyridin-3-yl)boronic acid |
Description: | 2-Methoxy-3-pyridylboronic Acid (CAS# 163105-90-6) is a useful research chemical. |
Molecular Weight: | 152.94 |
Molecular Formula: | C6H8NO3B |
Canonical SMILES: | B(C1=C(N=CC=C1)OC)(O)O |
InChI: | InChI=1S/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3 |
InChI Key: | NVOLYUXUHWBCRJ-UHFFFAOYSA-N |
Boiling Point: | 326.4 °C at 760 mmHg |
Melting Point: | 140-144 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.24 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD03411572 |
LogP: | -1.23000 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 20191016 |
WO-2021067827-A1 | Mcl1 inhibitors and uses thereof | 20191003 |
PMID | Publication Date | Title | Journal |
17148917 | 20061201 | (2-Methoxy-3-pyridyl)boronic acid | Acta crystallographica. Section C, Crystal structure communications |
15624958 | 20050107 | Palladium-catalyzed cross-coupling reactions of pyridylboronic acids with heteroaryl halides bearing a primary amine group: synthesis of highly substituted bipyridines and pyrazinopyridines | The Journal of organic chemistry |
15007413 | 20040321 | 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions | Organic & biomolecular chemistry |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0597233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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