6-Aminopyridine-3-boronic Acid - CAS 851524-96-4

Catalog:	BB037510
Product Name:	6-Aminopyridine-3-boronic Acid
CAS:	851524-96-4
Synonyms:	(6-amino-3-pyridinyl)boronic acid; (6-aminopyridin-3-yl)boronic acid

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Computed Properties

IUPAC Name:	(6-aminopyridin-3-yl)boronic acid
Description:	6-Aminopyridine-3-boronic Acid (CAS# 851524-96-4) is a reagent used in the preparation of metallo-β-lactamase inhibitors for use in antibiotics.
Molecular Weight:	137.93
Molecular Formula:	C5H7N2O2B
Canonical SMILES:	B(C1=CN=C(C=C1)N)(O)O
InChI:	InChI=1S/C5H7BN2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H,(H2,7,8)
InChI Key:	NPJBPJIQMCHZLJ-UHFFFAOYSA-N
Boiling Point:	388.271 °C at 760 mmHg
Density:	1.334 g/cm³
Appearance:	Solid
MDL:	MFCD09907980
LogP:	-1.07520

Publication Number	Title	Priority Date
CN-113461661-A	6- (pyridine-3-yl) quinazoline-4 (3H) -ketone derivative and preparation and application thereof	20210712
WO-2021159993-A1	Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof	20200214
WO-2021099793-A1	1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors	20191120
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
WO-2020198026-A1	Compounds and uses thereof	20190322

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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:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.0600576
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	138.0600576
Rotatable Bond Count:	1
Topological Polar Surface Area:	79.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0