2-Bromopyridine-3-boronic Acid - CAS 452972-08-6

Catalog:	BB025825
Product Name:	2-Bromopyridine-3-boronic Acid
CAS:	452972-08-6
Synonyms:	(2-bromo-3-pyridinyl)boronic acid; (2-bromopyridin-3-yl)boronic acid

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Computed Properties

IUPAC Name:	(2-bromopyridin-3-yl)boronic acid
Description:	2-Bromopyridine-3-boronic Acid (CAS# 452972-08-6) is a useful research chemical.
Molecular Weight:	201.81
Molecular Formula:	C5H5BrNO2B
Canonical SMILES:	B(C1=C(N=CC=C1)Br)(O)O
InChI:	InChI=1S/C5H5BBrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
InChI Key:	ODWRFKJNUJLAHM-UHFFFAOYSA-N
Boiling Point:	374.3 °C at 760 mmHg
Density:	1.78 g/cm³
Appearance:	Solid
MDL:	MFCD04113805
LogP:	-0.47610

Publication Number	Title	Priority Date
US-2021167321-A1	Inorganic light emitting diode and inorganic light emitting device including the same	20191128
KR-102008366-B1	Glucose sensor using conductive elastomeric microparticles and the manufacturing method thereof	20171031
KR-20190048546-A	Glucose sensor using conductive elastomeric microparticles and the manufacturing method thereof	20171031
CN-110997671-A	Azaindole compounds as histone methyltransferase inhibitors	20170609
EP-3634962-A1	Azaindole compounds as histone methyltransferase inhibitors	20170609

PMID	Publication Date	Title	Journal
22272238	20120101	Non inflammatory boronate based glucose-responsive insulin delivery systems	PloS one

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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:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.95967
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.95967
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0