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Molecule record

6-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
78502

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, 6-nitro-
  • 225-311-0
  • 4769-96-4
  • 6-Nitroindole
  • 6-nitro-IH-indole
  • 6-nitro-indole
  • AM1023
  • DTXCID10119733
Show all 24 synonyms
  • DTXSID00197242
  • EINECS 225-311-0
  • EU-0033530
  • HMS3092O15
  • HY-W001576
  • MFCD00051497
  • MLS002694917
  • N-3020
  • N0402
  • NSC 89285
  • NSC89285
  • PS-3278
  • RefChem:544070
  • SCHEMBL30011
  • SMR001560831
  • indole, 6-nitro-

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccc2cc[nH]c2c1
Isomeric SMILES
C1=CC(=CC2=C1C=CN2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H
InChIKey
PSWCIARYGITEOY-UHFFFAOYSA-N
PubChem CID
78502

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

Simulated EI mass spectrum

On-demand educational fragmentation for 6-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