Indole-7-carboxaldehyde

C9H7NOCAS 1074-88-0145.16 g/mol

Open in Covalent MOL file
OHN
Aldehyde

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
Melting point
87–89 °C
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 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
1074-88-0
SMILES
O=Cc1cccc2cc[nH]c12
InChIKey
XQVZDADGTFJAFM-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-6,10H

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole-7-carboxaldehyde
  • 7-Formylindole
  • 1H-Indole-7-carbaldehyde

Work with Indole-7-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

7-Bromoindole51417-51-748 % similar 7-Chloroindole53924-05-348 % similar 1-Naphthalenecarboxaldehyde66-77-348 % similar 7-Hydroxyindole2380-84-947 % similar 7-Fluoro-1H-indole387-44-047 % similar 7-Aminoindole5192-04-147 % similar 7-Methylindole933-67-547 % similar 2-Hydroxynicotinaldehyde36404-89-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-5-carboxaldehyde1196-69-6 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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