2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride

C₁₁H₁₇Cl₂NO₂CAS 153259-31-5266.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₁H₁₇Cl₂NO₂
Molar mass: 266.16 g/mol
Exact mass: 265.0636 Da
logP: 2.97Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Identifiers

CAS number

153259-31-5

SMILES

COCCCOc1ccnc(CCl)c1C.Cl

InChIKey

MNVYUQSFAJMSCS-UHFFFAOYSA-N

InChI

InChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names

Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-, hydrochloride (1:1)
Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-, hydrochloride
C 686
2-Chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine hydrochloride

Work with 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine 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-(3-methoxypropoxy)-3-methylpyridine117977-20-592 % similar 4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-367 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-765 % similar 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-460 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-054 % similar Rabeprazole-thioether117977-21-650 % similar 2-(Chloromethyl)-3,4-dimethoxypyridine hydrochloride72830-09-249 % similar Rabeprazole117976-89-348 % similar

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

Elsewhere

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