2-Quinolinecarboxaldehyde

C10H7NOCAS 5470-96-2157.17 g/mol

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Aldehyde

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
Melting point
70–72 °C
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 47 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
5470-96-2
SMILES
O=Cc1ccc2ccccc2n1
InChIKey
WPYJKGWLDJECQD-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H

Weigh it out

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

Names and synonyms

6 names
  • 2-Quinolylaldehyde
  • Quinaldaldehyde
  • 2-Formylquinoline
  • 2-Quinolinecarbaldehyde
  • NSC 27026
  • 2-Quinolylcarbaldehyde

Work with 2-Quinolinecarboxaldehyde

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-2-carbaldehyde1593-08-455 % similar 2,6-Diformylpyridine5431-44-752 % similar 8-Hydroxyquinoline-2-carboxaldehyde14510-06-651 % similar 2,2′-Biquinoline119-91-550 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-947 % similar 2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-347 % similar 2-Bromoquinoline2005-43-845 % similar 2-Quinolone59-31-445 % 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 6-Quinolinecarbaldehyde4113-04-6 4-Quinolinecarboxaldehyde4363-93-3 Quinoline-7-carbaldehyde49573-30-0 1-Benzofuran-3-ylacetonitrile52407-43-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook