6-Carboxypyridine-3-boronic Acid - CAS 913836-11-0

Catalog:	BB040154
Product Name:	6-Carboxypyridine-3-boronic Acid
CAS:	913836-11-0
Synonyms:	5-borono-2-pyridinecarboxylic acid; 5-boronopyridine-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-boronopyridine-2-carboxylic acid
Description:	6-Carboxypyridine-3-boronic Acid (CAS# 913836-11-0) is a useful research chemical.
Molecular Weight:	166.93
Molecular Formula:	C6H6NO4B
Canonical SMILES:	B(C1=CN=C(C=C1)C(=O)O)(O)O
InChI:	InChI=1S/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)
InChI Key:	UEKWXZLQKGKCEQ-UHFFFAOYSA-N
Boiling Point:	454.4 °C at 760 mmHg
Density:	1.5 g/cm³
Appearance:	White solid
LogP:	-1.54040

Publication Number	Title	Priority Date
WO-2021126970-A1	Sequential targeting in crosslinking nano-theranostics for treating brain tumors	20191217
WO-2021126989-A1	Two-way magnetic resonance tuning nanoprobe enhanced subtraction imaging	20191217
CN-109721621-B	Preparation method of sialic acid recognition conductive polymer precursor	20181230
JP-WO2020045342-A1	Pretreatment reagents and nanoparticle analysis and recovery methods	20180828
WO-2019004482-A1	Heterocyclic boronic acid derivative	20170626

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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
[881302-73-4]
3,5-Dicarboxyphenylboronic 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:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0389878
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	167.0389878
Rotatable Bond Count:	2
Topological Polar Surface Area:	90.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0