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Molecule record

3-iodo-1H-indole

C8H6IN

243.05 g/mol

Loading structure

Molecular properties

Formula
C8H6IN
Molar mass
243.05 g·mol−1
Exact mass
242.9545 Da
6
PubChem CID
11207253

Functional groups

Aromatic ring
Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Indole, 3-iodo-
  • 26340-47-6
  • 3-IODOINDOLE
  • 3-Iodo-indole
  • 3-Iodoindole, 95%
  • 3-indolyl-iodide
  • 3-jod-1H-indole
  • 823-661-4
Show all 24 synonyms
  • AC-28358
  • AKOS016028430
  • AS-57071
  • DB-067616
  • DTXCID50409600
  • DTXSID20458781
  • FQVDXLYJTMHMCG-UHFFFAOYSA-
  • FQVDXLYJTMHMCG-UHFFFAOYSA-N
  • MFCD07778364
  • RefChem:502655
  • SB36281
  • SCHEMBL29472310
  • SCHEMBL3849040
  • SCHEMBL84022
  • SY031164
  • TQP1279

Structure identifiers

Canonical SMILES
Ic1c[nH]c2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)I
InChI
InChI=1S/C8H6IN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey
FQVDXLYJTMHMCG-UHFFFAOYSA-N
PubChem CID
11207253

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-iodo-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-iodo-1H-indole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
3-iodo-1H-indole - Formula, Structure | ChemArche