4-Pyridinylboronic acid - CAS 1692-15-5
Catalog: |
BB012526 |
Product Name: |
4-Pyridinylboronic acid |
CAS: |
1692-15-5 |
Synonyms: |
Pyridine-4-boronic acid; 4-Pyridylboronic Acid; (pyridin-4-yl)boronic acid; B-4-Pyridinylboronic Acid; 4-Pyridineboronic acid; Boronic acid, 4-pyridinyl-; AC-14907; AK-26762; BC000193; BP-10299 |
IUPAC Name: | pyridin-4-ylboronic acid |
Description: | Boronic acid derivatives and their binding affinities with diols. |
Molecular Weight: | 122.92 |
Molecular Formula: | C5H6BNO2 |
Canonical SMILES: | B(C1=CC=NC=C1)(O)O |
InChI: | InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H |
InChI Key: | QLULGIRFKAWHOJ-UHFFFAOYSA-N |
Boiling Point: | 308.8±34.0 °C (Predicted) |
Melting Point: | > 300 °C |
Purity: | > 98 % (HPLC) |
Density: | 1.220±0.10 g/cm3 (Predicted) |
Solubility: | Slightly soluble in Aqueous Acid, Water |
Appearance: | Pale orange granular powder |
Storage: | 2-8 °C under inert atmosphere |
MDL: | MFCD08061353 |
LogP: | -1.23860 |
GHS Hazard Statement: | H302 (16.67%): 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 |
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PMID | Publication Date | Title | Journal |
22376008 | 20120322 | Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors | Journal of medicinal chemistry |
22220592 | 20120308 | Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design | Journal of medicinal chemistry |
22347365 | 20120101 | Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes | PloS one |
21936546 | 20111104 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
21754261 | 20110501 | trans-Dichloridobis[(pyridin-4-yl)boronic acid-κN]palladium(II) dimethyl sulfoxide disolvate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.0491586 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.0491586 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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