CAS 6959-47-3|2-(chloromethyl)pyridine hydrochloride|2-(chloromethyl)pyridine hydrochloride|2-Picolyl chloride hydrochloride|2-(Chloromethyl)pyridine hydrochloride|2-氯甲基吡啶盐酸盐|2-(Chloromethy...

General Information

Structure

Molecular Formula

C₆H₇Cl₂N

Molecular Mass

164.03248

Exact Mass

162.99555459

Charge

InChI

InChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H

InChIKey

JPMRGPPMXHGKRO-UHFFFAOYSA-N

Canonic Smiles

ClCc1ccccn1.Cl

Isomeric Smiles

c1cc(ncc1)CCl.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4065783

LogD (pH = 7.4)

1.4240595

Log P

1.4242873

Molar Refractivity

33.2458

Polarizability

13.086979

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-(chloromethyl)pyridine hydrochloride

Synonyms

2-(Chloromethyl)pyridine hydrochloride2-Picolyl chloride hydrochloride2-氯甲基吡啶盐酸盐2-吡啶甲基氯盐酸盐2-(Chloromethyl)pyridine hydrochloride2-Chloromethylpyridine hydrochloride2-(氯甲基)吡啶盐酸盐

IUPAC name

2-(chloromethyl)pyridine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

6959-47-3

PubChem SID

1609750662485000224855223

MDL Number

PubChem CID

EC Number

Beilstein Number

Registration numbers

Properties

Physical Property

119-125°C

120-124 °C(lit.)

120-124 °C

120-124°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

162701

Packaging
5, 25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• The free base has also been used for the protection of OH groups as 2-picolyl derivatives, relatively stable to acid (HF, TFA) but selectively cleaved by electrolytic reduction: Acta Chem. Scand. B, B37, 475 (1983); J. Chem. Res. (Synop.), 22 (1977).

• The free base, generated from the hydrochloride with aqueous OH^-, can be metallated (LDA, -78^o) at the methylene group. Subsequent reaction with a ketone provides a route to otherwise inaccessible pyridyloxiranes: Tetrahedron Lett., 35, 3175 (1994). Similarly, reaction of the lithio derivative with an imine gives a pyridylaziridine, generally in good yield: J. Org. Chem., 60, 2279 (1995).

• For a study of the base-catalyzed alkylation of p-t-butylcalix[5]arene, see: J. Org. Chem., 61, 2407 (1996).

References

Bioactivity

PubChem BioAssay

Bioactivity