2-Fluoropyridine-4-boronic acid

C₅H₅BFNO₂CAS 401815-98-3140.91 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₅BFNO₂
Molar mass: 140.91 g/mol
Exact mass: 141.0397 Da
logP: -1.10Crippen 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

401815-98-3

SMILES

B(C1=CC(=NC=C1)F)(O)O

InChIKey

WXGBZJJAGLSBPR-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BFNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H

Weigh it out

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

Work with 2-Fluoropyridine-4-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-Bromopyridin-4-ylboronic acid458532-94-057 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-257 % similar 2-Methylpyridine-4-boronic acid579476-63-457 % similar 2-Methoxypyridne-4-boronic acid762262-09-952 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-051 % similar 2,4-Difluoropyridine34941-90-750 % similar Pyridine-4-boronic acid1692-15-548 % similar 4-Bromo-2-fluoropyridine128071-98-747 % similar

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

Same formula

2-Fluoropyridine-3-boronic acid174669-73-9 (6-Fluoropyridin-3-yl)boronic acid351019-18-6 (3-Fluoropyridin-4-yl)boronic acid458532-97-3 (5-Fluoropyridin-3-yl)boronic acid872041-86-6

Elsewhere

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