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

C₉H₁₃Cl₂NOCAS 86604-75-3222.11 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₁₃Cl₂NO
Molar mass: 222.11 g/mol
Exact mass: 221.0374 Da
Melting point: 127–128 °C
logP: 2.87Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

86604-75-3

SMILES

COc1c(C)cnc(CCl)c1C.Cl

InChIKey

LCJDHJOUOJSJGS-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, hydrochloride (1:1)
Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, hydrochloride
2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride
CC-993
3,5-Dimethyl-2-chloromethyl-4-methoxypyridine hydrochloride
2-(Chloromethyl)-4-methoxy-3,5-dimethyl-1-pyridinium chloride
3,5-Dimethyl-4-methoxy-2-chloromethyl pyridine hydrochloride

Work with 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-091 % similar 4-Methoxy-3,5-dimethyl-2-pyridinemethanol86604-78-662 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-755 % similar 2-(Chloromethyl)-3,4-dimethoxypyridine hydrochloride72830-09-249 % similar 2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-642 % similar Omeprazole sulfide73590-85-941 % similar 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-541 % similar Tenatoprazole113712-98-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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