chempirical

8-Quinolineboronic acid

C9H8BNO2CAS 86-58-8172.98 g/mol

Open in Covalent MOL file
BNHOHO
Boronic acid

Properties

Molecular formula
C9H8BNO2
Molar mass
172.98 g/mol
Exact mass
173.0648 Da
logP
-0.09Crippen 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
86-58-8
SMILES
B(C1=C2C(=CC=C1)C=CC=N2)(O)O
InChIKey
KXJJSKYICDAICD-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-13H

Weigh it out

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

Work with 8-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-Chloropyridin-3-yl)boronic acid381248-04-058 % similar 2-Fluoropyridine-3-boronic acid174669-73-953 % similar 2-Bromopyridin-3-ylboronic acid452972-08-653 % similar 2-Methylpyridine-3-boronic acid899436-71-653 % similar 1,10-Phenanthroline66-71-752 % similar 8-Hydroxyquinoline148-24-352 % similar (2-Methoxypyridin-3-yl)boronic acid163105-90-649 % similar 2-Cyanopyridin-3-ylboronic acid874290-88-749 % 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 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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