2-Fluoropyridine-4-boronic acid

C5H5BFNO2CAS 401815-98-3140.91 g/mol

Open in Covalent MOL file
BNFHOHO
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
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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