1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1314140-36-7

Name: 1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB007316
Product Name:	1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester
CAS:	1314140-36-7
Synonyms:	1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

Technical Data

IUPAC Name:	1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
Description:	1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1314140-36-7) is a useful research chemical.
Molecular Weight:	235.09
Molecular Formula:	C12H18NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=CN(C2=O)C
InChI:	InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-14(5)10(9)15/h6-8H,1-5H3
InChI Key:	PNRZXUANEKDDHK-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020251974-A1	Smarca inhibitors and uses thereof	20190610
CN-111163780-A	Heterocyclic compounds as adenosine antagonists	20170718
KR-20200041315-A	Heterocyclic compounds as adenosine antagonists	20170718
US-2019023666-A1	Heterocyclic compounds as adenosine antagonists	20170718
JP-2020527588-A	Heterocyclic compounds as adenosine antagonists	20170718

Complexity:	396
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.1379736
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.1379736
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0