chempirical

Quinoline-4-boronic acid

C9H8BNO2CAS 371764-64-6172.98 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
371764-64-6
SMILES
B(C1=CC=NC2=CC=CC=C12)(O)O
InChIKey
KATIRQRAVXTBNY-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6,12-13H

Weigh it out

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

Work with Quinoline-4-boronic 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

1-Naphthylboronic acid13922-41-348 % similar 4-Bromoquinoline3964-04-347 % similar Lepidine491-35-047 % similar 4-Chloroquinoline611-35-847 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-444 % similar (1-Benzothiophen-3-yl)boronic acid113893-08-644 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-644 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-444 % 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 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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