5-Bromoindole

C8H6BrNCAS 10075-50-0196.05 g/mol

Open in Covalent MOL file
BrNH
Aryl halide

Properties

Molecular formula
C8H6BrN
Molar mass
196.05 g/mol
Exact mass
194.9684 Da
Melting point
90–92 °C
logP
2.93Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 59 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
10075-50-0
SMILES
Brc1ccc2[nH]ccc2c1
InChIKey
VXWVFZFZYXOBTA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole, 5-bromo-
  • Indole, 5-bromo-
  • 5-Bromo-1H-indole
  • NSC 75581

Work with 5-Bromoindole

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

6-Bromoindole52415-29-969 % similar 5-Hydroxyindole1953-54-457 % similar 5-Methylindole614-96-054 % similar 6-Bromo-4-hydroxyquinoline145369-94-453 % similar 6-Bromoisoquinolin-1(2H)-one82827-09-653 % similar 5-Iodo-1H-indole16066-91-452 % similar 5-Chloroindole17422-32-152 % similar 5-Fluoroindole399-52-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromoindole1484-27-1 5-Bromo-2-methylbenzonitrile156001-51-3 (4-Bromophenyl)acetonitrile16532-79-9 4-Cyanobenzyl bromide17201-43-3 (2-Bromophenyl)acetonitrile19472-74-3 2-Cyanobenzyl bromide22115-41-9 3-Cyanobenzyl bromide28188-41-2 (3-Bromophenyl)acetonitrile31938-07-5

Elsewhere

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