5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone

C₆H₃BrF₃NOCAS 76041-79-7242.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₆H₃BrF₃NO
Molar mass: 242.00 g/mol
Exact mass: 240.9350 Da
logP: 2.57Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

76041-79-7

SMILES

Oc1ncc(Br)cc1C(F)(F)F

InChIKey

OPLCXLXORZDTMX-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)

Weigh it out

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

Names and synonyms

6 names

5-Bromo-3-(trifluoromethyl)-2-pyridone
2(1H)-Pyridinone, 5-bromo-3-(trifluoromethyl)-
2-Hydroxy-3-trifluoromethyl-5-bromopyridine
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
5-Bromo-3-trifluoromethylpyridin-2(1H)-one
5-Bromo-3-(trifluoromethyl)pyridin-2-ol

Work with 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone

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

5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-159 % similar 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-058 % similar 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-754 % similar 3,5-Dibromo-2(1H)-pyridinone13472-81-653 % similar 4-Bromo-2-(trifluoromethyl)phenol50824-04-950 % similar 5-Bromo-3-methyl-2(1H)-pyridinone89488-30-250 % similar 5-Bromo-2-(trifluoromethyl)pyrimidine799557-86-147 % similar Trifluoromethyluracil54-20-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine76041-73-1

Elsewhere

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