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

C₉H₁₂ClNOCAS 84006-10-0185.65 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₁₂ClNO
Molar mass: 185.65 g/mol
Exact mass: 185.0607 Da
logP: 2.45Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84006-10-0

SMILES

COc1c(C)cnc(CCl)c1C

InChIKey

SRKVJDYNPSMHJM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-
2-Chloromethyl-3,5-dimethyl-4-methoxypyridine
4-Methoxy-3,5-dimethyl-2-(chloromethyl)pyridine
2-Chlormethyl-4-methoxy-3,5-dimethyl pyridine hydrochloride

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

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-methoxy-3,5-dimethylpyridine hydrochloride86604-75-3Salt

Similar compounds

4-Methoxy-3,5-dimethyl-2-pyridinemethanol86604-78-667 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-748 % similar 2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-645 % similar Omeprazole sulfide73590-85-944 % similar Tenatoprazole113712-98-443 % similar 2-Chloromethyl-3,4-dimethoxypyridinium chloride72830-09-242 % similar (-)-Omeprazole119141-88-741 % similar (+)-Omeprazole119141-89-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(N)Chroman-4-amine hydrochloride1035093-81-2 Ethyl benzimidate hydrochloride5333-86-8 2-Amino-1-(4-chlorophenyl)propan-1-ol57908-21-1 (S)-3-(4-Chlorophenyl)-beta-alaninol886061-26-3

Elsewhere

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