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

C9H11ClF3NO2CAS 253345-80-1257.64 g/mol

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OFFFNOHHCl
AlcoholAlkyl halideEther

Properties

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

Hazards

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

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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

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.

3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-8Free base

Similar compounds

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 2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride675198-19-360 % 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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