5-Chloro-3-methylindole

C9H8ClNCAS 71095-42-6165.62 g/mol

Open in Covalent MOL file
HNCl
Aryl halide

Properties

Molecular formula
C9H8ClN
Molar mass
165.62 g/mol
Exact mass
165.0345 Da
logP
3.13Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
71095-42-6
SMILES
CC1=CNC2=C1C=C(C=C2)Cl
InChIKey
MWEBJGCQVFUVQL-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 5-Chloro-3-methyl-1H-indole

Work with 5-Chloro-3-methylindole

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-Fluoro-3-methyl-1H-indole392-13-258 % similar 5-Chloroindole-3-carboxaldehyde827-01-053 % similar Skatole83-34-152 % similar 5-Chlorotryptamine3764-94-151 % similar 5-Chloroindole-3-carboxylic acid10406-05-049 % similar 5-Chlorotryptamine hydrochloride942-26-748 % similar 4-Chloro-1,2-dimethylbenzene615-60-147 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-methyl-1H-indole1075-35-0 Quinoline hydrochloride530-64-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook