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Molecule record

5-nitro-1H-indole

C8H6N2O2

162.15 g/mol

Loading structure

Molecular properties

Formula
C8H6N2O2
Molar mass
162.15 g·mol−1
Exact mass
162.0429 Da
7
PubChem CID
22523

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 1H-Indole, 5-nitro-
  • 228-153-0
  • 2HU
  • 5-Nitro-1H-indole; NSC 520594;
  • 5-Nitroindole
  • 5-nitro indole
  • 6146-52-7
  • AC-7395
Show all 24 synonyms
  • CCRIS 3255
  • CS-D1052
  • DTXCID40132894
  • DTXSID80210403
  • EINECS 228-153-0
  • F8889-7938
  • INDOLE, 5-NITRO-
  • MFCD00005673
  • MLS003373832
  • NSC-520594
  • O2BHX6EDBN
  • Oprea1_492280
  • RefChem:103268
  • SCHEMBL17347355
  • SY006010
  • UNII-O2BHX6EDBN

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccc2[nH]ccc2c1
Isomeric SMILES
C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
InChIKey
OZFPSOBLQZPIAV-UHFFFAOYSA-N
PubChem CID
22523

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 5-nitro-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-nitro-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