Molecular properties
- Formula
- C5H3BrN4
- Molar mass
- 199.01 g·mol−1
- Exact mass
- 197.9541 Da
- 6
- PubChem CID
- 141472908
Molecule record
3-bromopurine
C5H3BrN4
199.01 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL28137790
Structure identifiers
- Canonical SMILES
- Brn1cncc2ncnc1-2
- Isomeric SMILES
- C1=C2C(=NC=N2)N(C=N1)Br
- InChI
- InChI=1S/C5H3BrN4/c6-10-3-7-1-4-5(10)9-2-8-4/h1-3H
- InChIKey
- IPWBMYHPHVCDDT-UHFFFAOYSA-N
- PubChem CID
- 141472908
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 3-bromopurine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-bromopurine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.