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Molecule record

2-nitropyrimidine

C4H3N3O2

125.09 g/mol

Loading structure

Molecular properties

Formula
C4H3N3O2
Molar mass
125.09 g·mol−1
Exact mass
125.0225 Da
5
PubChem CID
13015879

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 55133-62-5
  • 619-790-9
  • 630123-58-9
  • CHEBI:48507
  • DTXSID10515271
  • RefChem:854365
  • SCHEMBL446354
  • SCHEMBL448240
Show all 12 synonyms
  • SCHEMBL57064
  • UQOKRDJILZMZKU-UHFFFAOYSA-N
  • nitropyrimidine
  • nitropyrimidines

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ncccn1
Isomeric SMILES
C1=CN=C(N=C1)[N+](=O)[O-]
InChI
InChI=1S/C4H3N3O2/c8-7(9)4-5-2-1-3-6-4/h1-3H
InChIKey
UQOKRDJILZMZKU-UHFFFAOYSA-N
PubChem CID
13015879

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 2-nitropyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-nitropyrimidine; 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