(5-Chloro-2-fluoropyridin-4-yl)boronic acid

C5H4BClFNO2CAS 1034659-38-5175.35 g/mol

Open in Covalent MOL file
BNClFHOHO
Aryl halideBoronic 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 Ų
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.

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Identifiers

CAS number
1034659-38-5
SMILES
B(C1=CC(=NC=C1Cl)F)(O)O
InChIKey
UTCNOKCGQCXVAK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BClFNO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2,10-11H

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Work with (5-Chloro-2-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

2,5-Dichloropyridine-4-boronic acid847664-64-665 % similar 5-Chloro-2-fluoro-4-iodopyridine659731-48-352 % similar 2-Chloro-5-fluorobenzeneboronic acid444666-39-150 % similar 3-Chloro-2-fluorophenylboronic acid352535-82-147 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-447 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-146 % similar 2,5-Dichlorobenzeneboronic acid135145-90-344 % similar 2-Chlorophenylboronic acid3900-89-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-fluoropyridine-3-boronic Acid937595-70-5 2-Chloro-3-fluoropyridine-4-boronic acid937595-71-6

Elsewhere

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