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Molecule record

3-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
11084182

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, 3-nitro-
  • 3-nitroindole
  • 4770-03-0
  • A872090
  • AKOS016013047
  • CS-W005280
  • DB-339465
  • DS-5172
Show all 21 synonyms
  • DTXCID10405385
  • DTXSID20454566
  • EN300-732042
  • F321605
  • FT-0699466
  • MFCD13178651
  • O11037
  • PB42882
  • RefChem:281264
  • SCHEMBL1849779
  • SCHEMBL366241
  • SY244788
  • indole, 3-nitro-

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1c[nH]c2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O2/c11-10(12)8-5-9-7-4-2-1-3-6(7)8/h1-5,9H
InChIKey
LSMXNZJFLGIPMS-UHFFFAOYSA-N
PubChem CID
11084182

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

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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
3-nitro-1H-indole - Formula, Structure | ChemArche