6-(2-Methoxy-2-oxoethoxy)-3-pyridineboronic Acid Pinacol Ester - CAS 2027496-50-8
Catalog: |
BB015754 |
Product Name: |
6-(2-Methoxy-2-oxoethoxy)-3-pyridineboronic Acid Pinacol Ester |
CAS: |
2027496-50-8 |
Synonyms: |
2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetic acid methyl ester; methyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxyacetate |
IUPAC Name: | methyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxyacetate |
Description: | 6-(2-Methoxy-2-oxoethoxy)-3-pyridineboronic Acid Pinacol Ester (CAS# 2027496-50-8) is a useful research chemical. |
Molecular Weight: | 293.12 |
Molecular Formula: | C14H20NO5B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC(=O)OC |
InChI: | InChI=1S/C14H20BNO5/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)19-9-12(17)18-5/h6-8H,9H2,1-5H3 |
InChI Key: | QMSMRWQJDYUHEC-UHFFFAOYSA-N |
LogP: | 0.93260 |
Publication Number | Title | Priority Date |
US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
US-10266532-B2 | Tricyclic modulators of TNF signaling | 20150417 |
US-2016304517-A1 | Tricyclic modulators of tnf signaling | 20150417 |
US-2018179198-A1 | Tricyclic modulators of tnf signaling | 20150417 |
US-9856253-B2 | Tricyclic modulators of TNF signaling | 20150417 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.1434528999999 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.1434528999999 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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