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Molecule record

2-bromo-7H-purine

C5H3BrN4

199.01 g/mol

Loading structure

Molecular properties

Formula
C5H3BrN4
Molar mass
199.01 g·mol−1
Exact mass
197.9541 Da
6
PubChem CID
4546700

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 2-BROMOPURINE
  • 2-bromo-9H-purine
  • 28128-15-6
  • AS-82713
  • CS-0183863
  • D78857
  • DTXSID30404113
  • F624957
Show all 14 synonyms
  • MFCD23135385
  • NSC-54259
  • NSC54259
  • SB74519
  • SCHEMBL4323514
  • SCHEMBL4323519

Structure identifiers

Canonical SMILES
Brc1ncc2[nH]cnc2n1
Isomeric SMILES
C1=C2C(=NC(=N1)Br)N=CN2
InChI
InChI=1S/C5H3BrN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
InChIKey
VUUFPZIGOAEYHC-UHFFFAOYSA-N
PubChem CID
4546700

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-bromo-7H-purine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-bromo-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.

PubChem(link only)
Open source record