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

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
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

1H-Indazole-5-carboxaldehyde253801-04-653 % similar 2-Hydroxy-4-pyridinecarboxaldehyde188554-13-450 % similar 5-Methylindole614-96-048 % similar 2-Naphthalenecarboxaldehyde66-99-948 % similar 5-Bromoindole10075-50-047 % similar 5-Iodo-1H-indole16066-91-447 % similar 5-Chloroindole17422-32-147 % similar 5-Hydroxyindole1953-54-447 % 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′-Cyanoacetophenone1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinolin-N-oxide1532-72-5 Quinoline 1-oxide1613-37-2

Elsewhere

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