2-Chloropyridine-5-boronic acid

C₅H₅BClNO₂CAS 444120-91-6157.36 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

444120-91-6

SMILES

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

InChIKey

WPAPNCXMYWRTTL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Chloropyridine-5-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

(6-Fluoropyridin-3-yl)boronic acid351019-18-661 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-456 % similar 2-Bromopyridine-5-boronic acid223463-14-753 % similar 2-Methylpyridine-5-boronic acid659742-21-953 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-953 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-348 % similar 2-Trifluoromethyl-5-pyridineboric acid868662-36-648 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-248 % similar

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

Same formula

(2-Chloropyridin-3-yl)boronic acid381248-04-0 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-Chloropyridine-2-boronic acid652148-91-9 (5-Chloropyridin-3-yl)boronic acid872041-85-5

Elsewhere

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