chempirical

2-Quinolinylboronic acid

C9H8BNO2CAS 745784-12-7172.98 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
745784-12-7
SMILES
B(C1=NC2=CC=CC=C2C=C1)(O)O
InChIKey
DWHCQRBWSBKHMI-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BNO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,12-13H

Weigh it out

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

Names and synonyms

1 names
  • Quinoline-2-boronic acid

Work with 2-Quinolinylboronic 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

2,2′-Biquinoline119-91-550 % similar 2-Quinolone59-31-450 % similar 2-Chloroquinoline-3-boronic acid128676-84-647 % similar 2-Quinolinemethanol1780-17-245 % similar 2-Bromoquinoline2005-43-845 % similar 2-Chloroquinoline612-62-445 % similar Quinaldine91-63-445 % similar 2-(Quinolin-2-yl)ethanol1011-50-344 % 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 8-Quinolineboronic acid86-58-8

Elsewhere

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