2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride

C₉H₁₀Cl₂F₃NOCAS 127337-60-4276.08 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₁₀Cl₂F₃NO
Molar mass: 276.08 g/mol
Exact mass: 275.0092 Da
logP: 3.49Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H317 May cause an allergic skin reaction94.2% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

127337-60-4

SMILES

Cc1c(OCC(F)(F)F)ccnc1CCl.Cl

InChIKey

CMZBQUWICURDCD-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClF3NO.ClH/c1-6-7(4-10)14-3-2-8(6)15-5-9(11,12)13;/h2-3H,4-5H2,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Pyridine, 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, hydrochloride (1:1)
Pyridine, 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, hydrochloride
2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride

Work with 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine 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

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)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-0Free base

Similar compounds

2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride253345-80-173 % similar 3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-866 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-763 % similar 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-560 % similar 2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-554 % similar Lansoprazole sulfide103577-40-849 % similar 2-Chloromethyl-3,4-dimethoxypyridinium chloride72830-09-247 % similar Lansoprazole103577-45-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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