6-Hydroxypyridine-3-boronic Acid - CAS 903899-13-8

Catalog:	BB039834
Product Name:	6-Hydroxypyridine-3-boronic Acid
CAS:	903899-13-8
Synonyms:	(6-oxo-1H-pyridin-3-yl)boronic acid; (6-oxo-1H-pyridin-3-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(6-oxo-1H-pyridin-3-yl)boronic acid
Description:	6-Hydroxypyridine-3-boronic Acid (CAS# 903899-13-8) is a useful research chemical.
Molecular Weight:	138.92
Molecular Formula:	C5H6NO3B
Canonical SMILES:	B(C1=CNC(=O)C=C1)(O)O
InChI:	InChI=1S/C5H6BNO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,9-10H,(H,7,8)
InChI Key:	YUOLAYZNDYRBEZ-UHFFFAOYSA-N
Boiling Point:	500.794 °C at 760 mmHg
Density:	1.429 g/cm³
LogP:	-1.53300

Publication Number	Title	Priority Date
US-2021253556-A1	Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof	20200204
WO-2021158829-A1	Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof	20200204
KR-20210048654-A	Bicyclic compound and use thereof	20191023
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
CA-3056970-A1	2-methyl-quinazolines	20170321

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.0440732
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	139.0440732
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0