Molecular properties
- Formula
- C4H3N3O2
- Molar mass
- 125.09 g·mol−1
- Exact mass
- 125.0225 Da
- 5
- PubChem CID
- 45080184
Molecule record
4-nitropyrimidine
C4H3N3O2
125.09 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 122429-13-4
- AKOS006308738
- DTXCID10614652
- DTXSID10663903
- RefChem:295120
- SCHEMBL11874665
- SCHEMBL445953
- SCHEMBL446901
Show all 9 synonyms
- SCHEMBL448312
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ccncn1
- Isomeric SMILES
- C1=CN=CN=C1[N+](=O)[O-]
- InChI
- InChI=1S/C4H3N3O2/c8-7(9)4-1-2-5-3-6-4/h1-3H
- InChIKey
- OSPOSTLNPSOSSA-UHFFFAOYSA-N
- PubChem CID
- 45080184
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-nitropyrimidine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-nitropyrimidine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.