chempirical

5-Methoxyindole-3-carbaldehyde

C10H9NO2CAS 10601-19-1175.19 g/mol

Open in Covalent MOL file
ONHO
AldehydeEther

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
178 °C
logP
1.99Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
10601-19-1
SMILES
COc1ccc2[nH]cc(C=O)c2c1
InChIKey
TUWARWGEOHQXCO-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

9 names
  • 5-Methoxyindole-3-carboxaldehyde
  • 1H-Indole-3-carboxaldehyde, 5-methoxy-
  • Indole-3-carboxaldehyde, 5-methoxy-
  • 5-Methoxy-1H-indole-3-carboxaldehyde
  • 5-Methoxy-3-indolealdehyde
  • 3-Formyl-5-methoxyindole
  • NSC 521754
  • 3-Formyl-5-methoxy-1H-indole
  • 5-Methoxy-1H-indole-3-carbaldehyde

Work with 5-Methoxyindole-3-carbaldehyde

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

6-Methoxy-1H-indole-3-carbaldehyde70555-46-380 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-367 % similar 5-Methylindole-3-carboxaldehyde52562-50-262 % similar 3-Formyl-1H-indole-5-carboxylic acid methyl ester197506-83-558 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-658 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-858 % similar 5-Chloroindole-3-carboxaldehyde827-01-058 % similar 5-Bromoindole-3-carboxaldehyde877-03-258 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 1-Acetyl-3-indolinone16800-68-3

Elsewhere

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