2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid

C6H4BClF3NO2CAS 536693-96-6225.36 g/mol

Open in Covalent MOL file
HOBHOFFFNCl
Alkyl halideAryl halideBoronic acid

Properties

Molecular formula
C6H4BClF3NO2
Molar mass
225.36 g/mol
Exact mass
224.9976 Da
Melting point
138.9–141.1 °C
logP
0.43Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
536693-96-6
SMILES
OB(O)c1cc(C(F)(F)F)cnc1Cl
InChIKey
OJUNKVOTAZHNAL-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BClF3NO2/c8-5-4(7(13)14)1-3(2-12-5)6(9,10)11/h1-2,13-14H

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Names and synonyms

3 names
  • Boronic acid, [2-chloro-5-(trifluoromethyl)-3-pyridinyl]-
  • Dihydroxy(2-chloro-5-trifluoromethyl-3-pyridyl)borane
  • [2-Chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid

Work with 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid

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

(2,5-Dichloropyridin-3-yl)boronic acid536693-97-757 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-757 % similar 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-056 % similar B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-656 % similar 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine71701-92-354 % similar 2-Chloro-5-(trifluoromethyl)pyridin-3-amine72587-18-954 % similar 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-953 % similar 2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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