2,6-Dichloropyridine-4-boronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C11H14Cl2NO2B

Molecular Weight:

273.95

CAS Number:

408492-27-3

Catalog Number:

408492-27-3

Product Information

Molecular Formula:

C11H14Cl2NO2B

Molecular Weight:

273.95

Description

2,6-Dichloropyridine-4-boronic Acid Pinacol Ester (CAS# 408492-27-3) is a useful research chemical.

Synonyms

2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC Name

2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Cl)Cl

InChI

InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)15-9(14)6-7/h5-6H,1-4H3

InChI Key

PEFDHAOFDBNZEQ-UHFFFAOYSA-N

Boiling Point

373.232 °C at 760 mmHg

Melting Point

117-119 °C

Flash Point

Not applicable

Purity

95 %

Density

1.244 g/cm³

Storage

2-8 °C

LogP

2.68760

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

273.0494642 g/mol

Monoisotopic Mass

273.0494642 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

275

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-2022023772-A1	Antagonist compounds	2020-07-31
WO-2020255022-A1	Combination of hepatitis b virus (hbv) vaccines and aminopyridine derivatives as hpk1 inhibitors	2019-06-18
WO-2020193511-A1	Hpk1 inhibitors	2019-03-26
TW-202102488-A	Hpk1 inhibitors	2019-03-26
AU-2020249409-A1	HPK1 inhibitors	2019-03-26
CA-3129768-A1	Hpk1 inhibitors	2019-03-26
EP-3947366-A1	Hpk1 inhibitors	2019-03-26
CN-111377852-A	Derivative and organic EL element using same	2018-12-28
JP-2020105131-A	Chrysene derivative and organic EL device using the same	2018-12-28
CN-112189012-A	Trisubstituted aryl and heteroaryl derivatives as modulators of PI3 kinase and autophagy pathways	2018-04-10

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