(2,5-Dichloropyridin-3-yl)boronic acid

C₅H₄BCl₂NO₂CAS 536693-97-7191.80 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₄BCl₂NO₂
Molar mass: 191.80 g/mol
Exact mass: 190.9712 Da
logP: 0.07Crippen 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

536693-97-7

SMILES

B(C1=CC(=CN=C1Cl)Cl)(O)O

InChIKey

IISUHTJFLBUMKT-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BCl2NO2/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

2,5-Dichloropyridine-3-boronic acid

Work with (2,5-Dichloropyridin-3-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

B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-665 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-657 % similar 2,3,5-Trichloropyridine16063-70-050 % similar (2-Chloropyridin-3-yl)boronic acid381248-04-048 % similar 3-Bromo-2,5-dichloropyridine138006-41-447 % similar 2,5-Dichloro-3-methylpyridine59782-88-647 % similar 3-Amino-2,5-dichloropyridine78607-32-647 % similar 2,5-Dichloro-3-iodopyridine942206-23-747 % similar

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

Same formula

B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-2 2,6-Dichloropyridine-3-boronic acid148493-34-9

Elsewhere

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