6-(Methylsulfonyl)pyridine-3-boronic Acid - CAS 1088496-41-6

Catalog:	BB002352
Product Name:	6-(Methylsulfonyl)pyridine-3-boronic Acid
CAS:	1088496-41-6
Synonyms:	(6-methylsulfonyl-3-pyridinyl)boronic acid; (6-methylsulfonylpyridin-3-yl)boronic acid

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Computed Properties

IUPAC Name:	(6-methylsulfonylpyridin-3-yl)boronic acid
Description:	6-(Methylsulfonyl)pyridine-3-boronic Acid (CAS# 1088496-41-6) is a useful research chemical.
Molecular Weight:	201.01
Molecular Formula:	C6H8NO4SB
Canonical SMILES:	B(C1=CN=C(C=C1)S(=O)(=O)C)(O)O
InChI:	InChI=1S/C6H8BNO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
InChI Key:	OBWIRUCBMIYFBP-UHFFFAOYSA-N
Boiling Point:	487.373 °C at 760 mmHg
Density:	1.477 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	-0.75430

Publication Number	Title	Priority Date
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-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	20190514
CN-111072645-A	Compounds as TGF- Î² R1 inhibitors and uses thereof	20181018

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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:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0267091
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.0267091
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0