Molecular properties
- Formula
- C8H6IN
- Molar mass
- 243.05 g·mol−1
- Exact mass
- 242.9545 Da
- 6
- PubChem CID
- 2782313
Molecule record
5-iodo-1H-indole
C8H6IN
243.05 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 16066-91-4
- 1H-Indole, 5-iodo-
- 5-Iodoindole
- 5-Iodoindole, 97%
- 628-024-2
- AB04939
- AKOS015853662
- CCG-247892
Show all 23 synonyms
- CS-W004099
- DB-043466
- DTXSID60382031
- EN300-67041
- F067484
- FI02236
- HMS559P09
- MFCD00220065
- Maybridge1_006499
- PS-7545
- RefChem:536313
- SBB054565
- SCHEMBL1399575
- SCHEMBL177313
- SY030018
Structure identifiers
- Canonical SMILES
- Ic1ccc2[nH]ccc2c1
- Isomeric SMILES
- C1=CC2=C(C=CN2)C=C1I
- InChI
- InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
- InChIKey
- TVQLYTUWUQMGMP-UHFFFAOYSA-N
- PubChem CID
- 2782313
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 5-iodo-1H-indole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 5-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.