5-Chloro-2-methyl-1H-indole

C₉H₈ClNCAS 1075-35-0165.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈ClN
Molar mass: 165.62 g/mol
Exact mass: 165.0345 Da
Melting point: 119 °C
logP: 3.13Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

1075-35-0

SMILES

Cc1cc2cc(Cl)ccc2[nH]1

InChIKey

WUVWAXJXPRYUME-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3

Weigh it out

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

Names and synonyms

5 names

1H-Indole, 5-chloro-2-methyl-
Indole, 5-chloro-2-methyl-
5-Chloro-2-methylindole
2-Methyl-5-chloroindole
NSC 402577

Work with 5-Chloro-2-methyl-1H-indole

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-2-methylindole399-72-461 % similar 2,5-Dimethylindole1196-79-860 % similar 5-Bromo-2-methylindole1075-34-956 % similar 2-Methyl-1H-indol-5-ol13314-85-756 % similar 5-Amino-2-methylindole7570-49-256 % similar 2-Methylindole95-20-553 % similar 5-Methoxy-2-methylindole1076-74-053 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-247 % similar

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

Same formula

Quinoline hydrochloride530-64-3 5-Chloro-3-methylindole71095-42-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook