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

C₉H₉ClF₃NOCAS 128430-66-0239.62 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₉ClF₃NO
Molar mass: 239.62 g/mol
Exact mass: 239.0325 Da
logP: 3.07Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

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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

Similar compounds

2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-492 % similar 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

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

Elsewhere

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