(3-Fluoropyridin-4-yl)boronic acid

C₅H₅BFNO₂CAS 458532-97-3140.91 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

458532-97-3

SMILES

OB(O)c1ccncc1F

InChIKey

QUHSESYLMZVXCN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-(3-fluoro-4-pyridinyl)-
Boronic acid, (3-fluoro-4-pyridinyl)-
B-(3-Fluoro-4-pyridinyl)boronic acid
3-Fluoro-4-pyridylboronic acid
3-Fluoropyridine-4-boronic acid

Work with (3-Fluoropyridin-4-yl)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

(3-Chloropyridin-4-yl)boronic acid458532-98-455 % similar (3-Methylpyridin-4-yl)boronic acid894808-72-155 % similar 2-Fluorophenylboronic acid1993-03-952 % similar 4-Methylpyridine-3-boronic acid148546-82-150 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-050 % similar 3-Fluoropyridine-4-boronic acid pinacol ester458532-88-250 % similar 2,4-Difluorophenylboronic acid144025-03-647 % similar 4-Methoxypyridine-3-boronic acid355004-67-046 % 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 2-Fluoropyridine-4-boronic acid401815-98-3 (5-Fluoropyridin-3-yl)boronic acid872041-86-6

Elsewhere

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