6-(2-Methoxy-2-oxoethoxy)-3-pyridineboronic Acid Pinacol Ester - CAS 2027496-50-8

Name: 6-(2-Methoxy-2-oxoethoxy)-3-pyridineboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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
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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