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

C11H16ClNO2CAS 117977-20-5229.70 g/mol

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OONCl
Alkyl halideEther

Properties

Molecular formula
C11H16ClNO2
Molar mass
229.70 g/mol
Exact mass
229.0870 Da
logP
2.54Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
117977-20-5
SMILES
COCCCOc1ccnc(CCl)c1C
InChIKey
XPYNCLYLFSMFQE-UHFFFAOYSA-N
InChI
InChI=1S/C11H16ClNO2/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2/h4-5H,3,6-8H2,1-2H3

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Names and synonyms

4 names
  • Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-
  • 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine
  • 2-Chloromethyl-4-(3-methoxypropyloxy)-3-methylpyridine
  • 2-Chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine

Work with 2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-5Salt

Similar compounds

4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-371 % similar 2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride675198-19-367 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-758 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-058 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-454 % similar Rabeprazole-thioether117977-21-653 % similar Rabeprazole117976-89-350 % similar Rabeprazole sodium117976-90-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-4 (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-9 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-3 (R)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride269398-82-5 Phenylalanine ethyl ester hydrochloride3182-93-2 H-D-Phe-oet hcl63060-94-6

Elsewhere

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