3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol

C₉H₁₀F₃NO₂CAS 103577-66-8221.18 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₉H₁₀F₃NO₂
Molar mass: 221.18 g/mol
Exact mass: 221.0664 Da
Melting point: 93–94 °C
logP: 1.82Crippen estimate
Polar surface area: 42.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-246-00-4), via PubChem.

Precautionary statements

P273, P501

Identifiers

CAS number

103577-66-8

SMILES

Cc1c(OCC(F)(F)F)ccnc1CO

InChIKey

GNILTGRCVCMPFJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)-
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol

Work with 3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol

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-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride253345-80-1Salt

Similar compounds

2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-071 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-466 % similar 4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-358 % similar 2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride675198-19-354 % similar Lansoprazole sulfide103577-40-852 % similar Lansoprazole103577-45-349 % similar Lansoprazole sulfone131926-99-349 % similar (+)-Lansoprazole138530-94-649 % similar

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

Same formula

N-Methylanilinium trifluoroacetate29885-95-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook