chempirical

Indole-4-carboxaldehyde

C9H7NOCAS 1074-86-8145.16 g/mol

Open in Covalent MOL file
ONH
Aldehyde

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
Melting point
141–143 °C
logP
1.98Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1074-86-8
SMILES
O=Cc1cccc2[nH]ccc12
InChIKey
JFDDFGLNZWNJTK-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H

Weigh it out

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

Names and synonyms

6 names
  • 1H-Indole-4-carboxaldehyde
  • 4-Formylindole
  • 4-Indolecarbaldehyde
  • NSC 337264
  • 4-Formyl-1H-indole
  • 1H-Indole-4-carbaldehyde

Work with Indole-4-carboxaldehyde

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

Indole-3-carbaldehyde487-89-858 % similar 1H-Indazole-4-carboxaldehyde669050-70-853 % similar 4-Chloroindole25235-85-248 % similar 4-Bromoindole52488-36-548 % similar 1-Naphthalenecarboxaldehyde66-77-348 % similar 4-Methylindole16096-32-547 % similar 1H-Indol-4-ol2380-94-147 % similar Phthalaldehyde643-79-844 % similar

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

Same formula

Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4-Acetylbenzonitrile1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinoline N-oxide1532-72-5 Quinoline N-oxide1613-37-2

Elsewhere

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