4-Methylpyridine-3-boronic Acid - CAS 148546-82-1

Catalog:	BB010316
Product Name:	4-Methylpyridine-3-boronic Acid
CAS:	148546-82-1
Synonyms:	(4-methyl-3-pyridinyl)boronic acid; (4-methylpyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-methylpyridin-3-yl)boronic acid
Description:	4-Methylpyridine-3-boronic Acid (CAS# 148546-82-1) is used in preparation of pyridopyrimidinone derivatives as AHR antagonists useful in the treatment of diseases.
Molecular Weight:	136.94
Molecular Formula:	C6H8NO2B
Canonical SMILES:	B(C1=C(C=CN=C1)C)(O)O
InChI:	InChI=1S/C6H8BNO2/c1-5-2-3-8-4-6(5)7(9)10/h2-4,9-10H,1H3
InChI Key:	ASXFMIDIRZPCGK-UHFFFAOYSA-N
Boiling Point:	327.4 °C at 760 mmHg
Density:	1.18 g/cm³
Appearance:	Off-white powder
MDL:	MFCD03788244
LogP:	-0.93020

Publication Number	Title	Priority Date
CN-111640954-A	Preparation method and application of boron-doped porous graphene cathode catalyst	20200622
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
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-2021005034-A1	New heterocyclic compounds	20190709
WO-2020191261-A1	Indazoles as lrrk2 inhibitors	20190321

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[1646563-27-0]
Methyl 2-(2-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)phenyl)acetate
[1799644-51-1]
B-spiro[9H-fluorene-9,9'-[9H]xanthen]-2-ylboronic acid

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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0648087
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.0648087
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0