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

C6H3ClF3NOCAS 76041-71-9197.54 g/mol

Open in Covalent MOL file
ONHFFFCl
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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