Quinolin-5-ylboronic acid

C₉H₈BNO₂CAS 355386-94-6172.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈BNO₂
Molar mass: 172.98 g/mol
Exact mass: 173.0648 Da
logP: -0.09Crippen 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

355386-94-6

SMILES

B(C1=C2C=CC=NC2=CC=C1)(O)O

InChIKey

NWIJBOCPTGHGIK-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BNO2/c12-10(13)8-4-1-5-9-7(8)3-2-6-11-9/h1-6,12-13H

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Names and synonyms

1 names

Quinoline-5-boronic acid

Work with Quinolin-5-ylboronic 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-Chloropyridin-3-yl)boronic acid381248-04-056 % similar 5-Hydroxyquinoline578-67-653 % similar 1-Naphthylboronic acid13922-41-352 % similar 2-Fluoropyridine-3-boronic acid174669-73-952 % similar 2-Bromopyridin-3-ylboronic acid452972-08-652 % similar 5-Bromoquinoline4964-71-050 % similar 5-Chloroquinoline635-27-850 % similar 5-Aminoquinoline611-34-748 % similar

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

Same formula

3-Quinolineboronic acid191162-39-7 4-Isoquinolineboronic acid192182-56-2 Quinoline-4-boronic acid371764-64-6 Isoquinoline-5-boronic acid371766-08-4 Quinolin-6-ylboronic Acid (contains varying amounts of Anhydride)376581-24-7 Isoquinoline-8-boronic acid721401-43-0 2-Quinolinylboronic acid745784-12-7

Elsewhere

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