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

C₉H₁₁ClF₃NO₂CAS 253345-80-1257.64 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₉H₁₁ClF₃NO₂
Molar mass: 257.64 g/mol
Exact mass: 257.0430 Da
logP: 2.25Crippen estimate
Polar surface area: 42.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

253345-80-1

SMILES

Cc1c(OCC(F)(F)F)ccnc1CO.Cl

InChIKey

DXKSKMLOGCCLGP-UHFFFAOYSA-N

InChI

InChI=1S/C9H10F3NO2.ClH/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12;/h2-3,14H,4-5H2,1H3;1H

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Names and synonyms

2 names

2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)-, hydrochloride (1:1)
2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)-, hydrochloride

Work with 2-Hydroxymethyl-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

Similar compounds

3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-892 % similar 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-473 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-066 % similar 4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-354 % similar Lansoprazole sulfide103577-40-849 % similar Lansoprazole103577-45-347 % similar Lansoprazole sulfone131926-99-347 % similar (+)-Lansoprazole138530-94-647 % similar

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

Elsewhere

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