5-Methoxypyridine-3-boronic Acid - CAS 850991-69-4
Catalog: |
BB037469 |
Product Name: |
5-Methoxypyridine-3-boronic Acid |
CAS: |
850991-69-4 |
Synonyms: |
(5-methoxy-3-pyridinyl)boronic acid; (5-methoxypyridin-3-yl)boronic acid |
IUPAC Name: | (5-methoxypyridin-3-yl)boronic acid |
Description: | 5-Methoxypyridine-3-boronic Acid (CAS# 850991-69-4) is a useful research chemical. |
Molecular Weight: | 152.94 |
Molecular Formula: | C6H8NO3B |
Canonical SMILES: | B(C1=CC(=CN=C1)OC)(O)O |
InChI: | InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3 |
InChI Key: | ISDFOFZTZUILPE-UHFFFAOYSA-N |
Boiling Point: | 356.2 ℃ at 760 mmHg |
Density: | 1.24 g/cm3 |
MDL: | MFCD03425977 |
LogP: | -1.23000 |
GHS Hazard Statement: | H302 (33.33%): 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-2021173082-A1 | Pyridopyrimidine derivatives useful in modulation of ahr signalling | 20200226 |
WO-2021113263-A1 | Crf receptor antagonists and methods of use | 20191204 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020127200-A1 | Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment, amelioration or prevention of cancer | 20181217 |
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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