6-Chloro-4-methyl-3-pyridineboronic Acid - CAS 913836-08-5

Catalog:	BB040153
Product Name:	6-Chloro-4-methyl-3-pyridineboronic Acid
CAS:	913836-08-5
Synonyms:	(6-chloro-4-methyl-3-pyridinyl)boronic acid; (6-chloro-4-methylpyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(6-chloro-4-methylpyridin-3-yl)boronic acid
Description:	6-Chloro-4-methyl-3-pyridineboronic Acid (CAS# 913836-08-5) is a useful research chemical.
Molecular Weight:	171.39
Molecular Formula:	C6H7ClNO2B
Canonical SMILES:	B(C1=CN=C(C=C1C)Cl)(O)O
InChI:	InChI=1S/C6H7BClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3,10-11H,1H3
InChI Key:	HMDMMWUUIMJRAQ-UHFFFAOYSA-N
Boiling Point:	359.17 °C at 760 mmHg
Density:	1.347 g/cm³
MDL:	MFCD07368882
LogP:	-0.27680

Publication Number	Title	Priority Date
US-10323018-B2	Quinazoline and quinoline compounds and uses thereof	20150120
US-2018009784-A1	Quinazoline and quinoline compounds and uses thereof	20150120
CA-2874303-A1	Tnf -alpha modulating benz imidazoles	20120611
EP-2858983-A1	Tnf -alpha modulating benzimidazoles	20120611
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Related Functional Groups

Boronic Acids and Esters

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2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
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4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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