6-Quinolinecarbaldehyde

C10H7NOCAS 4113-04-6157.17 g/mol

Open in Covalent MOL file
ON
Aldehyde

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
logP
2.05Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
4113-04-6
SMILES
C1=CC2=C(C=CC(=C2)C=O)N=C1
InChIKey
VUAOIXANWIFYCU-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H

Weigh it out

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

Work with 6-Quinolinecarbaldehyde

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

Quinoxaline-6-carbaldehyde130345-50-561 % similar 2-Naphthalenecarboxaldehyde66-99-955 % similar 2-Methylquinoline-6-carboxaldehyde108166-03-651 % similar 6-Iodoquinoline13327-31-650 % similar 6-Fluoroquinoline396-30-550 % similar 6-Bromoquinoline5332-25-250 % similar 6-Aminoquinoline580-15-450 % similar 6-Hydroxyquinoline580-16-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Quinolinecarboxaldehyde13669-42-6 Quinoline-5-carboxaldehyde22934-41-4 Isoquinoline-4-carbaldehyde22960-16-3 8-Quinolinecarboxaldehyde38707-70-9 4-Quinolinecarboxaldehyde4363-93-3 Quinoline-7-carbaldehyde49573-30-0 1-Benzofuran-3-ylacetonitrile52407-43-9 2-Quinolinecarboxaldehyde5470-96-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook