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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

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

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