5-(Trifluoromethyl)pyridin-2-ylboronic acid

C₆H₅BF₃NO₂CAS 1162257-58-0190.92 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

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

Weigh it out

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

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-Iodo-5-(trifluoromethyl)pyridine100366-75-448 % similar 5-Methyl-2-pyridineboronic acid372963-49-048 % similar 2-Bromo-5-(trifluoromethyl)pyridine50488-42-148 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-348 % similar 5-Chloropyridine-2-boronic acid652148-91-948 % similar 5-(Trifluoromethyl)pyridin-2-amine74784-70-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Trifluoromethyl-5-pyridineboric acid868662-36-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook