Molecular properties
- Formula
- C5H3N5O2
- Molar mass
- 165.11 g·mol−1
- Exact mass
- 165.0287 Da
- 7
- PubChem CID
- 57431174
Molecule record
2-nitro-7H-purine
C5H3N5O2
165.11 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
- 2-nitropurine
- SCHEMBL3658435
- SCHEMBL3658437
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ncc2[nH]cnc2n1
- Isomeric SMILES
- C1=C2C(=NC(=N1)[N+](=O)[O-])N=CN2
- InChI
- InChI=1S/C5H3N5O2/c11-10(12)5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H,6,7,8,9)
- InChIKey
- FRQCYMRNNSMXHG-UHFFFAOYSA-N
- PubChem CID
- 57431174
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 2-nitro-7H-purine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-nitro-7H-purine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.