chempirical

(2-Chloropyridin-3-yl)boronic acid

C5H5BClNO2CAS 381248-04-0157.36 g/mol

Open in Covalent MOL file
BNClHOHO
Aryl halideBoronic 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 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. Search the SDS library

Identifiers

CAS number
381248-04-0
SMILES
B(C1=C(N=CC=C1)Cl)(O)O
InChIKey
VRDAOVQZVXYRNH-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H

Weigh it out

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Names and synonyms

1 names
  • 2-Chloro-3-pyridylboronic acid

Work with (2-Chloropyridin-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

Quinolin-5-ylboronic acid355386-94-656 % similar 2-Fluoropyridine-3-boronic acid174669-73-955 % similar 2-Bromopyridin-3-ylboronic acid452972-08-655 % similar 2,6-Dichloropyridine-3-boronic acid148493-34-950 % similar (2-Methoxypyridin-3-yl)boronic acid163105-90-650 % similar 2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-150 % similar 2-Chloro-3-pyridinol6636-78-850 % similar (2,5-Dichloropyridin-3-yl)boronic acid536693-97-748 % similar

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

Same formula

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-Chloropyridine-2-boronic acid652148-91-9

Elsewhere

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