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Molecule record

3-iodoquinoline

C9H6IN

255.06 g/mol

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Molecular properties

Formula
C9H6IN
Molar mass
255.06 g·mol−1
Exact mass
254.9545 Da
7
PubChem CID
11253836

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 79476-07-6
  • 850-284-2
  • AB9519
  • AKOS016012435
  • AS-44973
  • CS-0103668
  • DB-082486
  • DTXCID90411060
Show all 22 synonyms
  • DTXSID00460241
  • EDA47607
  • EN300-75393
  • F322394
  • MFCD11656390
  • NDQXBRCPYKGVED-UHFFFAOYSA-N
  • Quinoline, 3-iodo-
  • RefChem:280122
  • SB72039
  • SCHEMBL1926347
  • SCHEMBL372216
  • SY191981
  • Z1172379319
  • ZB0115

Structure identifiers

Canonical SMILES
Ic1cnc2ccccc2c1
Isomeric SMILES
C1=CC=C2C(=C1)C=C(C=N2)I
InChI
InChI=1S/C9H6IN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKey
NDQXBRCPYKGVED-UHFFFAOYSA-N
PubChem CID
11253836

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-iodoquinoline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-iodoquinoline; 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