2-Hydroxy-4-(trifluoromethyl)pyridine

C₆H₄F₃NOCAS 50650-59-4163.10 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₆H₄F₃NO
Molar mass: 163.10 g/mol
Exact mass: 163.0245 Da
logP: 1.81Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed81.6% of notifiers
H315 Causes skin irritation18.4% of notifiers
H318 Causes serious eye damage81.6% of notifiers
H319 Causes serious eye irritation18.4% of notifiers
H335 May cause respiratory irritation16.3% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50650-59-4

SMILES

Oc1cc(C(F)(F)F)ccn1

InChIKey

IKHLLNMSMFVTLP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

9 names

4-(Trifluoromethyl)-2(1H)-pyridinone
2(1H)-Pyridinone, 4-(trifluoromethyl)-
4-Trifluoromethyl-2-pyridone
2-Hydroxy-4-trifluoromethylpyridine
4-Trifluoromethyl-2-pyridinone
4-Trifluoromethyl-2-hydroxypyridine
4-Trifluoromethyl-1H-pyridin-2-one
4-Trifluoromethyl-2(1H)-pyridinone
4-Trifluoromethylpyridin-2-ol

Work with 2-Hydroxy-4-(trifluoromethyl)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-Fluoro-4-(trifluoromethyl)pyridine118078-66-362 % similar 4,4'-Bis(trifluoromethyl)-2,2'-bipyridine142946-79-061 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-655 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-955 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-655 % similar 4-(Trifluoromethyl)pyridine-2-carboxylic acid588702-62-950 % similar 4-Hydroxy-2(1H)-pyridinone626-03-948 % similar 4-(Trifluoromethyl)pyridine3796-24-546 % similar

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

Same formula

2-(Trifluoromethyl)-4-hydroxypyridine170886-13-2 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-0 2-Hydroxy-3-trifluoromethylpyridine22245-83-6 2-Hydroxy-5-trifluoromethylpyridine33252-63-0 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-1

Elsewhere

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