5-Chloropyridine-2-boronic acid

C₅H₅BClNO₂CAS 652148-91-9157.36 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₅H₅BClNO₂
Molar mass: 157.36 g/mol
Exact mass: 157.0102 Da
logP: -0.59Crippen 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

652148-91-9

SMILES

B(C1=NC=C(C=C1)Cl)(O)O

InChIKey

JEGHCYRKSUGHJH-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Chloropyridine-2-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

5-Methyl-2-pyridineboronic acid372963-49-059 % similar (4-Chlorophenyl)boronic acid1679-18-152 % similar 5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-048 % similar 5-Chloro-2-fluoropyridine1480-65-548 % similar 5-Chloro-2(1H)-pyridinone4214-79-348 % similar 4'-Chloro-4-biphenylboronic acid364044-44-047 % similar 2,5-Dichloropyridine16110-09-146 % similar (2,5-Dichloropyridin-3-yl)boronic acid536693-97-745 % similar

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

Same formula

(2-Chloropyridin-3-yl)boronic acid381248-04-0 2-Chloropyridine-5-boronic acid444120-91-6 B-(4-Chloro-3-pyridinyl)boronic acid452972-10-0 B-(2-Chloro-4-pyridinyl)boronic acid458532-96-2 (3-Chloropyridin-4-yl)boronic acid458532-98-4 (5-Chloropyridin-3-yl)boronic acid872041-85-5

Elsewhere

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