2-Trifluoromethyl-5-pyridineboric acid

C₆H₅BF₃NO₂CAS 868662-36-6190.92 g/mol

Open in Covalent MOL file

Alkyl halide Boronic 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 Å²
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. Search the SDS library

Identifiers

CAS number

868662-36-6

SMILES

B(C1=CN=C(C=C1)C(F)(F)F)(O)O

InChIKey

BNTIPMNMTIAWIW-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H

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

Names and synonyms

1 names

2-(Trifluoromethyl)pyridine-5-boronic Acid

Work with 2-Trifluoromethyl-5-pyridineboric 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

(6-Fluoropyridin-3-yl)boronic acid351019-18-655 % similar 6-(Trifluoromethyl)-3-pyridinol216766-12-053 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-452 % similar 6-(Trifluoromethyl)pyridine-3-methanol386704-04-749 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 2-Bromopyridine-5-boronic acid223463-14-748 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-548 % similar 2-Chloropyridine-5-boronic acid444120-91-648 % similar

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

Same formula

5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-0

Elsewhere

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