6-Chloro-5-methylpyridine-3-boronic Acid - CAS 1003043-40-0

Catalog:	BB000162
Product Name:	6-Chloro-5-methylpyridine-3-boronic Acid
CAS:	1003043-40-0
Synonyms:	(6-chloro-5-methyl-3-pyridinyl)boronic acid; (6-chloro-5-methylpyridin-3-yl)boronic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	(6-chloro-5-methylpyridin-3-yl)boronic acid
Description:	6-Chloro-5-methylpyridine-3-boronic Acid (CAS# 1003043-40-0) is a useful research chemical.
Molecular Weight:	171.39
Molecular Formula:	C6H7ClNO2B
Canonical SMILES:	B(C1=CC(=C(N=C1)Cl)C)(O)O
InChI:	InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3
InChI Key:	WWOOKOBRTKSRLV-UHFFFAOYSA-N
Boiling Point:	358.744 °C at 760 mmHg
Density:	1.347 g/cm³
Appearance:	Powder
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD03411564
LogP:	-0.27680

Publication Number	Title	Priority Date
US-2020147039-A1	Compounds useful in inhibiting human trefoil factor 3	20170605
US-2020131139-A1	Small molecule inhibitors of bcl-2- associated death promoter (bad) phosphorylation	20170419
AU-2017260125-A1	Aromatic sulfonamide derivatives	20160503
AU-2017260125-A9	Aromatic sulfonamide derivatives	20160503
CA-3022793-A1	Aromatic sulfonamide derivatives	20160503

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Related Functional Groups

Boronic Acids and Esters

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2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
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4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
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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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0258363
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0258363
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0