2-(Pyrrolidin-1-yl)pyridine-3-boronic acid

Inquiry

Molecular Formula:

C9H13BN2O2

Molecular Weight:

192.02

CAS Number:

1257648-75-1

Catalog Number:

1257648-75-1

Product Information

Molecular Formula:

C9H13BN2O2

Molecular Weight:

192.02

Description

2-(Pyrrolidin-1-yl)pyridine-3-boronic acid is a boron-derived compound. Median activities include its deployment as a reactant, engaging in the fabrication of pharmaceuticals combating myriad illnesses, often those of neoplastic nature.

Synonyms

(2-(Pyrrolidin-1-yl)pyridin-3-yl)boronic acid; (2-pyrrolidin-1-ylpyridin-3-yl)boronic acid; [2-(Pyrrolidin-1-yl)pyridin-3-yl]boronic acid; 2-(Pyrrolidin-1-yl)pyridine-3-boronicacid; (2-(Pyrrolidin-1-yl)pyridin-3-yl)boronicacid; (2-(pyrrolidin-1-yl)pyridine-3-yl)boronic acid

IUPAC Name

(2-pyrrolidin-1-ylpyridin-3-yl)boronic acid

Canonical SMILES

B(C1=C(N=CC=C1)N2CCCC2)(O)O

InChI

InChI=1S/C9H13BN2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5,13-14H,1-2,6-7H2

InChI Key

ROELQLBROWVGFW-UHFFFAOYSA-N

Melting Point

107-112 °C

Flash Point

Not applicable

Storage

2-8°C

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

192.1070078 g/mol

Monoisotopic Mass

192.1070078 g/mol

Topological Polar Surface Area

56.6Å²

Heavy Atom Count

Formal Charge

Complexity

186

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
CA-3086668-A1	Compounds and compositions for the treatment of pain	2018-02-05
CN-111683660-A	Compounds and compositions for the treatment of pain	2018-02-05
KR-20200118005-A	Compounds and compositions for the treatment of pain	2018-02-05
BR-112020014146-A2	COMPOUNDS AND COMPOSITIONS FOR PAIN TREATMENT	2018-02-05
JP-2021512946-A	Compounds and compositions for treating pain	2018-02-05
US-2021221784-A1	Compounds and compositions for the treatment of pain	2018-02-05
EP-2951170-B1	Flap modulators	2013-02-04
EP-3070085-A1	Flap modulators	2013-02-04
EP-3070085-B1	Flap modulators	2013-02-04
EP-3495359-A1	Flap modulators	2013-02-04

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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