5-Methylindole-3-carboxaldehyde

C₁₀H₉NOCAS 52562-50-2159.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉NO
Molar mass: 159.19 g/mol
Exact mass: 159.0684 Da
logP: 2.29Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

52562-50-2

SMILES

CC1=CC2=C(C=C1)NC=C2C=O

InChIKey

ZTNQWTPWKNDRNF-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO/c1-7-2-3-10-9(4-7)8(6-12)5-11-10/h2-6,11H,1H3

Weigh it out

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

Work with 5-Methylindole-3-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

6-Methylindole-3-carboxaldehyde4771-49-776 % similar 5-Methoxyindole-3-carbaldehyde10601-19-162 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-861 % similar 5-Chloroindole-3-carboxaldehyde827-01-061 % similar 5-Bromoindole-3-carboxaldehyde877-03-261 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-357 % similar 3-Formyl-1H-indole-5-carbonitrile17380-18-656 % similar Indole-3-carbaldehyde487-89-856 % similar

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

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 3-Methylquinoline N-oxide1873-55-8 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Isoquinolinemethanol27311-63-3 1-Amino-2-naphthol2834-92-6

Elsewhere

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