6-(Dimethylamino)pyridine-3-boronic Acid - CAS 579525-46-5

Catalog:	BB029882
Product Name:	6-(Dimethylamino)pyridine-3-boronic Acid
CAS:	579525-46-5
Synonyms:	[6-(dimethylamino)-3-pyridinyl]boronic acid; [6-(dimethylamino)pyridin-3-yl]boronic acid

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Computed Properties

IUPAC Name:	[6-(dimethylamino)pyridin-3-yl]boronic acid
Description:	6-(Dimethylamino)pyridine-3-boronic Acid (CAS# 579525-46-5) is a useful research chemical.
Molecular Weight:	165.99
Molecular Formula:	C7H11N2O2B
Canonical SMILES:	B(C1=CN=C(C=C1)N(C)C)(O)O
InChI:	InChI=1S/C7H11BN2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5,11-12H,1-2H3
InChI Key:	NIDRXNINGRRBFV-UHFFFAOYSA-N
Boiling Point:	352.3 °C at 760 mmHg
Density:	1.19 g/cm³
MDL:	MFCD06409949
LogP:	-1.23690

Publication Number	Title	Priority Date
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
WO-2021046315-A2	Inhibitors of encephalitic alphaviruses	20190905
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
TW-202039447-A	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0913578
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.0913578
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0