3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine

C₆H₃ClF₃NOCAS 76041-71-9197.54 g/mol

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Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃ClF₃NO
Molar mass: 197.54 g/mol
Exact mass: 196.9855 Da
logP: 2.05Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

76041-71-9

SMILES

C1=C(C(=O)NC=C1C(F)(F)F)Cl

InChIKey

AJPOOWWMZOPUCG-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

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Names and synonyms

1 names

3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one

Work with 3-Chloro-2-hydroxy-5-(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

3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine76041-73-159 % similar 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol76041-74-259 % similar 5-Bromo-3-chloro-2-hydroxypyridine58236-70-750 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-647 % similar 3,4-Dichlorobenzotrifluoride328-84-745 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-745 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-344 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-844 % similar

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

Elsewhere

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