Quinolin-6-ylboronic Acid (contains varying amounts of Anhydride)

C₉H₈BNO₂CAS 376581-24-7172.98 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

376581-24-7

SMILES

B(C1=CC2=C(C=C1)N=CC=C2)(O)O

InChIKey

JLOLSBLXNMVKGY-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Quinoline-6-boronic acid

Work with Quinolin-6-ylboronic Acid (contains varying amounts of Anhydride)

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-Hydroxyquinoline580-16-556 % similar 2-Naphthylboronic acid32316-92-053 % similar 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-852 % similar 6-Iodoquinoline13327-31-652 % similar 6-Fluoroquinoline396-30-552 % similar 6-Bromoquinoline5332-25-252 % similar 6-Aminoquinoline580-15-452 % similar 6-Chloroquinoline612-57-752 % 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 Quinolin-5-ylboronic acid355386-94-6 Quinoline-4-boronic acid371764-64-6 Isoquinoline-5-boronic acid371766-08-4 Isoquinoline-8-boronic acid721401-43-0 2-Quinolinylboronic acid745784-12-7 8-Quinolineboronic acid86-58-8

Elsewhere

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