5-Hydroxypyridine-3-boronic Acid Pinacol Ester - CAS 1171891-35-2
Catalog: |
BB003862 |
Product Name: |
5-Hydroxypyridine-3-boronic Acid Pinacol Ester |
CAS: |
1171891-35-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinol; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ol |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ol |
Description: | 5-Hydroxypyridine-3-boronic Acid Pinacol Ester (CAS# 1171891-35-2) is a useful research chemical. |
Molecular Weight: | 221.06 |
Molecular Formula: | C11H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)O |
InChI: | InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-5-9(14)7-13-6-8/h5-7,14H,1-4H3 |
InChI Key: | YFHUGWJAGOEACU-UHFFFAOYSA-N |
MDL: | MFCD13189132 |
LogP: | 1.08640 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020200918-A1 | Isochromene derivatives as phosphoinositide 3-kinases inhibitors | 20190404 |
TW-202102504-A | Isochromene derivatives as phosphoinositide 3-kinases inhibitors | 20190404 |
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 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.1223235 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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