5-Methylindole-3-carboxaldehyde

C10H9NOCAS 52562-50-2159.19 g/mol

Open in Covalent MOL file
HNO
Aldehyde

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
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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