2-Trifluoromethyl-5-pyridineboric acid

C6H5BF3NO2CAS 868662-36-6190.92 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-053 % 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

PubChem CAS Common Chemistry NIST WebBook