2-(Trifluoromethyl)-4-hydroxypyridine

C₆H₄F₃NOCAS 170886-13-2163.10 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₄F₃NO
Molar mass: 163.10 g/mol
Exact mass: 163.0245 Da
logP: 1.39Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

170886-13-2

SMILES

C1=CNC(=CC1=O)C(F)(F)F

InChIKey

LKHCWMQMRXAPHX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-(Trifluoromethyl)pyridin-4-ol

Work with 2-(Trifluoromethyl)-4-hydroxypyridine

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-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one1357476-66-461 % similar 2-Fluoro-4-hydroxypyridine22282-69-555 % similar 4-Hydroxy-2-methylpyridine18615-86-645 % similar 2-Aminopyridin-4-ol33631-05-945 % similar 2-Bromo-4-hydroxypyridine36953-40-945 % similar 4-Hydroxypyridine-2-carboxylic acid22468-26-439 % similar 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-438 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-138 % similar

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

Same formula

6-(Trifluoromethyl)-3-pyridinol216766-12-0 2-Hydroxy-3-trifluoromethylpyridine22245-83-6 2-Hydroxy-5-trifluoromethylpyridine33252-63-0 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-1 4-(Trifluoromethyl)-2(1H)-pyridinone50650-59-4

Elsewhere

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