5-Bromo-1-methyl-1H-indole

C9H8BrNCAS 10075-52-2210.07 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C9H8BrN
Molar mass
210.07 g/mol
Exact mass
208.9840 Da
Melting point
42–43 °C
logP
2.94Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10075-52-2
SMILES
Cn1ccc2cc(Br)ccc21
InChIKey
SBOITLSQLQGSLO-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Indole, 5-bromo-1-methyl-
  • Indole, 5-bromo-1-methyl-
  • 1-Methyl-5-bromoindole
  • N-Methyl-5-bromoindole
  • 5-Bromo-1-methylindole
  • NSC 143238

Work with 5-Bromo-1-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

1-Methyl-1H-indol-5-amine102308-97-456 % similar 1-Methylindole603-76-950 % similar 5-Bromo-1-methyl-1H-indazole465529-57-149 % similar 5-Bromo-1-methyl-1H-1,3-benzodiazole53484-15-449 % similar 4-Bromo-1-methylpyridin-2(1H)-one214342-63-948 % similar 1-Methyl-1H-indole-5-carboxylic acid186129-25-947 % similar 1-Methyl-5-nitro-1H-indole29906-67-047 % similar 2,6-Dibromonaphthalene13720-06-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methylindole1075-34-9 6-Bromo-5-methyl-1H-indole248602-16-6 3-(4-Bromophenyl)propionitrile57775-08-3 4-Bromo-3,5-dimethyl-benzonitrile75344-77-3

Elsewhere

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