chempirical

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

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 2,6-Dibromoanthracene186517-01-141 % similar 5-Bromo-2-methyl-2H-indazole465529-56-041 % similar 6-Bromoisoquinoline34784-05-937 % similar 6-Bromo-2-methyl-2H-indazole590417-95-137 % similar 2-Bromo-6-methoxynaphthalene5111-65-936 % similar 2-Bromo-7-hydroxynaphthalene116230-30-935 % similar 4-Bromo-1,2-benzenediamine1575-37-734 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook