2-Methoxypyrimidine-5-boronic Acid - CAS 628692-15-9
Catalog: |
BB031854 |
Product Name: |
2-Methoxypyrimidine-5-boronic Acid |
CAS: |
628692-15-9 |
Synonyms: |
(2-methoxy-5-pyrimidinyl)boronic acid; (2-methoxypyrimidin-5-yl)boronic acid |
IUPAC Name: | (2-methoxypyrimidin-5-yl)boronic acid |
Description: | 2-Methoxypyrimidine-5-boronic Acid (CAS# 628692-15-9) is a useful research chemical. |
Molecular Weight: | 153.93 |
Molecular Formula: | C5H7N2O3B |
Canonical SMILES: | B(C1=CN=C(N=C1)OC)(O)O |
InChI: | InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3 |
InChI Key: | YPWAJLGHACDYQS-UHFFFAOYSA-N |
Boiling Point: | 378.3 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
MDL: | MFCD03094664 |
LogP: | -1.83500 |
GHS Hazard Statement: | H302 (88.89%): 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 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
WO-2021127071-A1 | Bicyclic heterocycle compounds methods of use thereof for the treatment of herpes viruses | 20191218 |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 20191016 |
PMID | Publication Date | Title | Journal |
15007413 | 20040321 | 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions | Organic & biomolecular chemistry |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0549723 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0549723 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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