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5-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester

5-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester

Inquiry

Molecular Formula:

C16H19BN2O2

Molecular Weight:

282.15

CAS Number:

872054-54-1

Catalog Number:

872054-54-1

Product Information

Molecular Formula:

C16H19BN2O2

Molecular Weight:

282.15

Description

5-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester is a highly versatile and extensively employed chemical entity within the realm of biomedical science, showcases remarkable pharmaceutical attributes. Its profound efficacy transcends treatment of a myriad of ailments, encompassing cancer and neurodegenerative disorders.

Synonyms

2-(5-Methyl-pyridin-2-yl)-6-phenyl-(1,3,6,2)dioxazaborolane, 5-Methyl-2-pyridineboronic acid N-phenyldiethanolamine ester

IUPAC Name

2-(5-methylpyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane

Canonical SMILES

B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC=C(C=C3)C

InChI

InChI=1S/C16H19BN2O2/c1-14-7-8-16(18-13-14)17-20-11-9-19(10-12-21-17)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3

InChI Key

AVMWJACSYAQNDG-UHFFFAOYSA-N

Melting Point

>300 °C (lit.)

Safety Information

Hazards

H228-H315-H317-H318-H335

Precautionary Statement

P210-P261-P264-P280-P305 + P351 + P338 + P310-P370 + P378

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

282.1539580 g/mol

Monoisotopic Mass

282.1539580 g/mol

Topological Polar Surface Area

34.6Å²

Heavy Atom Count

Formal Charge

Complexity

303

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
AU-2015288648-A1	Pyridone derivative having tetrahydropyranyl methyl group	2014-07-07
AU-2015288648-B2	Pyridone derivative having tetrahydropyranyl methyl group	2014-07-07
CA-2954488-A1	Pyridone derivative having tetrahydropyranylmethyl group	2014-07-07
CA-2954488-C	Pyridone derivative having tetrahydropyranylmethyl group	2014-07-07
EP-3168219-A1	Pyridone derivative having tetrahydropyranyl methyl group	2014-07-07
JP-2017101055-A	Pyridone derivatives having a tetrahydropyranylmethyl group	2014-07-07
JP-6086516-B2	Pyridone derivatives having a tetrahydropyranylmethyl group	2014-07-07
JP-6203439-B2	Pyridone derivatives having a tetrahydropyranylmethyl group	2014-07-07
JP-WO2016006706-A1	Pyridone derivatives having a tetrahydropyranylmethyl group	2014-07-07
TW-202003507-A	Pyridone derivatives containing tetrahydropyranylmethyl group and use thereof	2014-07-07

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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