3-Fluoropyridine-4-boronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C11H15FNO2B

Molecular Weight:

223.05

CAS Number:

458532-88-2

Catalog Number:

458532-88-2

Product Information

Molecular Formula:

C11H15FNO2B

Molecular Weight:

223.05

Description

3-Fluoropyridine-4-boronic Acid Pinacol Ester (CAS# 458532-88-2) is a useful research chemical.

Synonyms

3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC Name

3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)F

InChI

InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3

InChI Key

MLFGHAHGSVFKMI-UHFFFAOYSA-N

Boiling Point

292.4 °C at 760 mmHg

Melting Point

124-128 °C

Flash Point

Not applicable

Purity

95 %

Density

1.09 g/cm³

LogP

1.51990

Safety Information

Hazards

H315 - H319 - H335

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

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

223.1179870 g/mol

Monoisotopic Mass

223.1179870 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

257

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
US-2021261587-A1	STRAD-binding agents and Uses Thereof	2020-01-30
WO-2020259601-A1	Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and the use thereof	2019-06-28
CN-112955441-A	Functionalized aminotriazines	2018-10-24
JP-2022509388-A	Functionalized aminotriazine	2018-10-24
US-2021395225-A1	Functionalized aminotriazines	2018-10-24
WO-2020079173-A1	Pyridylphenylaminoquinolines and analogues	2018-10-18
BR-112021007312-A2	pyridylphenylaminoquinolines and analogues	2018-10-18
CN-112996782-A	Pyridylphenylaminoquinolines and analogs	2018-10-18
EP-3867241-A1	Pyridylphenylaminoquinolines and analogues	2018-10-18
KR-20210081370-A	Pyridylphenylaminoquinoline and analogs	2018-10-18

The molarity calculator equation

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The dilution calculator equation

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