3-Quinolineboronic acid

C₉H₈BNO₂CAS 191162-39-7172.98 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

Identifiers

CAS number

191162-39-7

SMILES

B(C1=CC2=CC=CC=C2N=C1)(O)O

InChIKey

YGDICLRMNDWZAK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Quinoline-3-boronic acid

Work with 3-Quinolineboronic 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-Naphthylboronic acid32316-92-053 % similar 2-Chloroquinoline-3-boronic acid128676-84-649 % similar 3-Bromoquinoline5332-24-148 % similar 3-Aminoquinoline580-17-648 % similar 3-Methylquinoline612-58-848 % similar 3-Quinolinecarbonitrile34846-64-546 % similar 3-Quinolinecarboxylic acid6480-68-845 % similar 3-Quinolinecarboxaldehyde13669-42-644 % similar

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

Same formula

4-Isoquinolineboronic acid192182-56-2

Elsewhere

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