6-Methylindole-3-carboxaldehyde

C10H9NOCAS 4771-49-7159.19 g/mol

Open in Covalent MOL file
NHO
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 4 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
4771-49-7
SMILES
CC1=CC2=C(C=C1)C(=CN2)C=O
InChIKey
LZERQSJGPXFAKB-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-12)5-11-10(9)4-7/h2-6,11H,1H3

Weigh it out

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

Work with 6-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

5-Methylindole-3-carboxaldehyde52562-50-276 % similar 6-Bromoindole-3-carbaldehyde17826-04-961 % similar 6-Fluoroindole-3-carboxaldehyde2795-41-761 % similar 6-Chloroindole-3-carboxaldehyde703-82-261 % similar 6-Methoxy-1H-indole-3-carbaldehyde70555-46-361 % similar 3-Formyl-1H-indole-6-carbonitrile83783-33-956 % similar Indole-3-carbaldehyde487-89-856 % similar Methyl 3-formyl-1H-indole-6-carboxylate133831-28-453 % 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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