2,6-Difluoropyridine-3-boronic acid

C₅H₄BF₂NO₂CAS 136466-94-9158.90 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₄BF₂NO₂
Molar mass: 158.90 g/mol
Exact mass: 159.0303 Da
logP: -0.96Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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

136466-94-9

SMILES

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

InChIKey

LCCZTROJRJFXNV-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BF2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H

Weigh it out

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

Names and synonyms

1 names

(2,6-Difluoropyridin-3-yl)boronic acid

Work with 2,6-Difluoropyridine-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-Fluoropyridine-3-boronic acid174669-73-952 % similar 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-651 % similar 2,3,6-Trifluoropyridine3512-18-350 % similar 3-Bromo-2,6-difluoropyridine80392-79-647 % similar 2,6-Difluoronicotinaldehyde155601-65-342 % similar 2,3,4-Trifluorobenzeneboronic acid226396-32-341 % similar (6-Fluoropyridin-3-yl)boronic acid351019-18-641 % similar 2,4-Difluorophenylboronic acid144025-03-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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