CAS 86604-75-3|CAS 84006-10-0|2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride|2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride|2-(chloromethyl)-4-methoxy-3,5-dimethylpyrid...

General Information

Structure

Molecular Formula

C₉H₁₃Cl₂NO

Molecular Mass

222.11162

Exact Mass

221.0374194

Charge

InChI

InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H

InChIKey

LCJDHJOUOJSJGS-UHFFFAOYSA-N

Canonic Smiles

COc1c(C)cnc(c1C)CCl.Cl

Isomeric Smiles

c1(c(c(cnc1CCl)C)OC)C.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3426785

LogD (pH = 7.4)

2.236542

Log P

2.293459

Molar Refractivity

49.7914

Polarizability

19.144737

Polar Surface Area

22.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride2-氯甲基-4-甲氧基-3,5-二甲基吡啶盐酸盐2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine Hydrochloride2-(Chloromethyl)-4-methoxy-3,5-dimethyl-pyridine Hydrochloride

IUPAC Traditional name

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

IUPAC name

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

86604-75-384006-10-0

MDL Number

MFCD00277472

PubChem SID

16099803924877560