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

C9H9ClF3NOCAS 128430-66-0239.62 g/mol

Open in Covalent MOL file
NClOFFF
Alkyl halideEther

Properties

Molecular formula
C9H9ClF3NO
Molar mass
239.62 g/mol
Exact mass
239.0325 Da
logP
3.07Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

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

Search the SDS library

Identifiers

CAS number
128430-66-0
SMILES
CC1=C(C=CN=C1CCl)OCC(F)(F)F
InChIKey
AENYCMZUDXQARW-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClF3NO/c1-6-7(4-10)14-3-2-8(6)15-5-9(11,12)13/h2-3H,4-5H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

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

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)pyridine hydrochloride127337-60-4Salt

Similar compounds

3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-871 % similar 2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride253345-80-166 % similar 2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-558 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-756 % similar 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-554 % similar Lansoprazole sulfide103577-40-852 % similar Lansoprazole103577-45-349 % similar Lansoprazole sulfone131926-99-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook