chempirical

Indole-5-carboxaldehyde

C9H7NOCAS 1196-69-6145.16 g/mol

Open in Covalent MOL file
NHO
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
1196-69-6
SMILES
C1=CC2=C(C=CN2)C=C1C=O
InChIKey
ADZUEEUKBYCSEY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H

Weigh it out

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

Work with Indole-5-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

5-Methylindole614-96-048 % similar 2-Naphthalenecarboxaldehyde66-99-948 % similar 5-Bromoindole10075-50-047 % similar 5-Chloroindole17422-32-147 % similar 5-Hydroxyindole1953-54-447 % similar 5-Fluoroindole399-52-047 % similar 5-Aminoindole5192-03-047 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-444 % 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-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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