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Molecule record

2-iodo-1H-indole

C8H6IN

243.05 g/mol

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Molecular properties

Formula
C8H6IN
Molar mass
243.05 g·mol−1
Exact mass
242.9545 Da
6
PubChem CID
11128498

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, 2-IODO-
  • 1H-Indole,2-iodo-
  • 2-IODOINDOLE
  • 26340-49-8
  • 838-780-7
  • AKOS016008811
  • BBA34049
  • DS-4612
Show all 21 synonyms
  • DTXCID30407083
  • DTXSID40456264
  • EN300-227443
  • F18254
  • F238524
  • MB08792
  • MFCD10699391
  • RefChem:262148
  • SCHEMBL2551202
  • SCHEMBL29408410
  • SY031163
  • ZPIHHIRJUPXETJ-UHFFFAOYSA-N
  • iodoindole

Structure identifiers

Canonical SMILES
Ic1cc2ccccc2[nH]1
Isomeric SMILES
C1=CC=C2C(=C1)C=C(N2)I
InChI
InChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKey
ZPIHHIRJUPXETJ-UHFFFAOYSA-N
PubChem CID
11128498

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 2-iodo-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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