3-Quinolineboronic acid

C9H8BNO2CAS 191162-39-7172.98 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

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3-Hydroxyquinoline580-18-753 % similar Quinoline-3-boronic acid pinacolate171364-85-553 % similar 2-Anthraceneboronic Acid (contains varying amounts of Anhydride)141981-64-852 % similar 2-Chloroquinoline-3-boronic acid128676-84-649 % similar 3-Bromoquinoline5332-24-148 % similar 3-Aminoquinoline580-17-648 % similar 3-Methylquinoline612-58-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 8-Quinolineboronic acid86-58-8

Elsewhere

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