2-Chloropyridine-5-boronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C11H15ClNO2B

Molecular Weight:

239.51

CAS Number:

444120-94-9

Catalog Number:

444120-94-9

Product Information

Molecular Formula:

C11H15ClNO2B

Molecular Weight:

239.51

Description

2-Chloropyridine-5-boronic Acid Pinacol Ester (CAS# 444120-94-9) is a useful research chemical.

Synonyms

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

IUPAC Name

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

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3

InChI Key

IEFBTHROULVUAH-UHFFFAOYSA-N

Boiling Point

328.3 °C at 760 mmHg

Melting Point

86-90 °C

Purity

97 %

Density

1.14 g/cm³

Appearance

White crystalline powder

LogP

2.03420

Safety Information

Hazards

H319

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

239.0884366 g/mol

Monoisotopic Mass

239.0884366 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
WO-2021221169-A1	Pyrimidin-4(3h)-one derivatives as trpv4 antagonists	2020-04-30
TW-202132307-A	Heterocyclic rip1 inhibitory compounds	2019-11-07
US-2020361939-A1	Modulators of alpha-1 antitrypsin	2019-05-14
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	2019-05-14
AU-2020286424-A1	Condensed tricyclic pyrroles as alpha-1 antitrypsin Modulators	2019-05-14
CN-114096542-A	Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators	2019-05-14
WO-2020206588-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	2019-04-08
WO-2020207414-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	2019-04-08
TW-202104208-A	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	2019-04-08
EP-3953347-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	2019-04-08

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