chempirical

2-Quinolinecarboxaldehyde

C10H7NOCAS 5470-96-2157.17 g/mol

Open in Covalent MOL file
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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

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

2,6-Diformylpyridine5431-44-752 % similar 2,2'-Biquinoline119-91-550 % similar 2-Quinolone59-31-445 % similar 2-Chloroquinoline612-62-445 % similar Quinaldine91-63-445 % similar 2-Hydrazinoquinoline15793-77-844 % similar 2-Phenylquinoline612-96-444 % similar Acridine260-94-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Quinolinecarboxaldehyde13669-42-6 4-Quinolinecarboxaldehyde4363-93-3 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook