5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)

C₅H₄BBrFNO₂CAS 501435-91-2219.80 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₄BBrFNO₂
Molar mass: 219.80 g/mol
Exact mass: 218.9502 Da
logP: -0.34Crippen 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

501435-91-2

SMILES

B(C1=CC(=CN=C1F)Br)(O)O

InChIKey

YAXKWQSQZIVTFC-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H

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Names and synonyms

1 names

5-Bromo-2-fluoro-3-pyridylboronic acid

Work with 5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)

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

5-Bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073353-50-054 % similar 3,5-Dibromo-2-fluoropyridine473596-07-553 % similar 5-Bromo-2,3-difluoropyridine89402-44-853 % similar 5-Bromo-2-fluoro-3-methylpyridine29312-98-950 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-750 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-649 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-546 % similar 2-Fluoropyridine-3-boronic acid174669-73-946 % similar

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

Elsewhere

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