chempirical

Indole-6-carboxaldehyde

C9H7NOCAS 1196-70-9145.16 g/mol

Open in Covalent MOL file
HNO
Aldehyde

Properties

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

Identifiers

CAS number
1196-70-9
SMILES
C1=CC(=CC2=C1C=CN2)C=O
InChIKey
VSPBWOAEHQDXRD-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H

Weigh it out

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

Names and synonyms

1 names
  • 1H-Indole-6-carboxaldehyde

Work with Indole-6-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

1H-Benzimidazole-6-carboxaldehyde58442-17-449 % similar 2-Naphthalenecarboxaldehyde66-99-948 % similar 6-Iodo-1H-indole115666-47-247 % similar 6-Chloroindole17422-33-247 % similar 6-Hydroxyindole2380-86-147 % similar 6-Bromoindole52415-29-947 % similar 1H-Indole-6-carboxylic acid1670-82-243 % similar 6-Nitroindole4769-96-443 % similar

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

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Quinolinol1321-40-0 4-Acetylbenzonitrile1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinoline N-oxide1532-72-5 Quinoline N-oxide1613-37-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook