5-Cyanopyridine-3-boronic Acid - CAS 497147-93-0

Catalog:	BB026802
Product Name:	5-Cyanopyridine-3-boronic Acid
CAS:	497147-93-0
Synonyms:	(5-cyano-3-pyridinyl)boronic acid; (5-cyanopyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5-cyanopyridin-3-yl)boronic acid
Description:	5-Cyanopyridine-3-boronic Acid (CAS# 497147-93-0) is a useful research chemical.
Molecular Weight:	147.93
Molecular Formula:	C6H5N2O2B
Canonical SMILES:	B(C1=CC(=CN=C1)C#N)(O)O
InChI:	InChI=1S/C6H5BN2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4,10-11H
InChI Key:	CYEXXDYQJPRMIQ-UHFFFAOYSA-N
Boiling Point:	375.9 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD07374882
LogP:	-1.36692

Publication Number	Title	Priority Date
CN-113461666-A	Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof	20210506
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021099837-A1	Adenosine receptor antagonist compounds	20191119
WO-2021099838-A1	Adenosine receptor antagonist compounds	20191119

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.0444076
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.0444076
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0