5-Chloro-2-fluoropyridine-3-boronic Acid

C₅H₄BClFNO₂CAS 937595-70-5175.35 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₄BClFNO₂
Molar mass: 175.35 g/mol
Exact mass: 175.0008 Da
logP: -0.45Crippen 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

937595-70-5

SMILES

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

InChIKey

ZUDXVHDVUTUTFH-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BClFNO2/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-Chloro-2-fluoropyridin-3-ylboronic acid

Work with 5-Chloro-2-fluoropyridine-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

(2,5-Dichloropyridin-3-yl)boronic acid536693-97-763 % similar 5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)501435-91-259 % similar (5-Chloro-2-methoxypyridin-3-yl)boronic acid943153-22-854 % similar 3,5-Dichloro-2-fluoropyridine823-56-353 % similar 5-Chloro-2,3-difluoropyridine89402-43-753 % similar 5-Chloro-2-fluoro-3-methylpyridine375368-84-650 % similar (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-249 % similar 2-Fluoropyridine-3-boronic acid174669-73-946 % similar

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

Same formula

(5-Chloro-2-fluoropyridin-4-yl)boronic acid1034659-38-5 2-Chloro-3-fluoropyridine-4-boronic acid937595-71-6

Elsewhere

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