5-Formylpyridine-3-boronic Acid Pinacol Ester - CAS 848093-29-8
Catalog: |
BB037318 |
Product Name: |
5-Formylpyridine-3-boronic Acid Pinacol Ester |
CAS: |
848093-29-8 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarboxaldehyde; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde |
Description: | 5-Formylpyridine-3-boronic Acid Pinacol Ester (CAS# 848093-29-8) is a useful research chemical. |
Molecular Weight: | 233.07 |
Molecular Formula: | C12H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C=O |
InChI: | InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)10-5-9(8-15)6-14-7-10/h5-8H,1-4H3 |
InChI Key: | WVIMCYHOZKNOCS-UHFFFAOYSA-N |
Density: | 1.1 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04038759 |
LogP: | 1.19330 |
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 |
US-2019382402-A1 | Indazole containing macrocycles and therapeutic uses thereof | 20180615 |
WO-2019241540-A1 | Indazole containing macrocycles and therapeutic uses thereof | 20180615 |
US-10759799-B2 | Indazole containing macrocycles and therapeutic uses thereof | 20180615 |
US-10653688-B2 | 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof | 20171027 |
US-2019125740-A1 | 6-(6-membered heteroaryl & aryl)isoquinolin-3-yl carboxamides and preparation and use thereof | 20171027 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.1223235 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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