chempirical

5-(Trifluoromethyl)pyridin-2-ylboronic acid

C6H5BF3NO2CAS 1162257-58-0190.92 g/mol

Open in Covalent MOL file
BNFFFHOHO
Alkyl halideBoronic acid

Properties

Molecular formula
C6H5BF3NO2
Molar mass
190.92 g/mol
Exact mass
191.0365 Da
logP
-0.22Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1162257-58-0
SMILES
B(C1=NC=C(C=C1)C(F)(F)F)(O)O
InChIKey
QGHRRKVXTZBZFZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-5(7(12)13)11-3-4/h1-3,12-13H

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Names and synonyms

1 names
  • 5-(Trifluoromethyl)pyridine-2-boronic acid

Work with 5-(Trifluoromethyl)pyridin-2-ylboronic 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-Fluoro-5-(trifluoromethyl)pyridine69045-82-555 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-452 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-348 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-647 % similar 2-Hydrazinyl-5-(trifluoromethyl)pyridine89570-85-446 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-045 % similar 2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-244 % similar 5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-344 % similar

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

Elsewhere

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