5-Methoxypyridine-3-boronic Acid - CAS 850991-69-4

Catalog:	BB037469
Product Name:	5-Methoxypyridine-3-boronic Acid
CAS:	850991-69-4
Synonyms:	(5-methoxy-3-pyridinyl)boronic acid; (5-methoxypyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5-methoxypyridin-3-yl)boronic acid
Description:	5-Methoxypyridine-3-boronic Acid (CAS# 850991-69-4) is a useful research chemical.
Molecular Weight:	152.94
Molecular Formula:	C6H8NO3B
Canonical SMILES:	B(C1=CC(=CN=C1)OC)(O)O
InChI:	InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
InChI Key:	ISDFOFZTZUILPE-UHFFFAOYSA-N
Boiling Point:	356.2 °C at 760 mmHg
Density:	1.24 g/cm³
MDL:	MFCD03425977
LogP:	-1.23000

Publication Number	Title	Priority Date
WO-2021173082-A1	Pyridopyrimidine derivatives useful in modulation of ahr signalling	20200226
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
WO-2020191261-A1	Indazoles as lrrk2 inhibitors	20190321
WO-2020127200-A1	Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment, amelioration or prevention of cancer	20181217

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
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
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0597233
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.0597233
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0