chempirical

6-Methoxy-1H-indole-3-carbaldehyde

C10H9NO2CAS 70555-46-3175.19 g/mol

Open in Covalent MOL file
ONHO
AldehydeEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
70555-46-3
SMILES
COC1=CC2=C(C=C1)C(=CN2)C=O
InChIKey
JTEFJNIWWXTBMP-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-8-2-3-9-7(6-12)5-11-10(9)4-8/h2-6,11H,1H3

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Names and synonyms

1 names
  • 6-Methoxy-1H-indole-3-carboxaldehyde

Work with 6-Methoxy-1H-indole-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-Methylindole-3-carboxaldehyde4771-49-761 % similar Methyl 3-formyl-1H-indole-6-carboxylate133831-28-457 % similar 6-Bromoindole-3-carbaldehyde17826-04-956 % similar 6-Fluoroindole-3-carboxaldehyde2795-41-756 % similar 6-Chloroindole-3-carboxaldehyde703-82-256 % similar 2,5-Dimethoxybenzaldehyde93-02-754 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-353 % similar 2,4-Dimethoxybenzaldehyde613-45-653 % 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 5-Methoxyindole-3-carbaldehyde10601-19-1 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

Elsewhere

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