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Molecule record

4-bromopyrimidine

C4H3BrN2

158.99 g/mol

Loading structure

Molecular properties

Formula
C4H3BrN2
Molar mass
158.99 g·mol−1
Exact mass
157.9480 Da
4
PubChem CID
12752220

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 31462-56-3
  • 31462-56-3 (free base)
  • 4-bromo-pyrimidine
  • AC-23086
  • AKOS007929977
  • CS-0040901
  • CS55QUH4M5
  • DB-010249
Show all 24 synonyms
  • DTXCID80459734
  • DTXSID70508927
  • FB11225
  • HS-3092
  • MFCD09749817
  • PB10690
  • PYRIMIDINE, 4-BROMO-
  • Pyrimidine, 4-bromo- (8CI,9CI)
  • RefChem:291144
  • SBB054515
  • SCHEMBL30484487
  • SCHEMBL446322
  • SCHEMBL449092
  • SCHEMBL450955
  • SCHEMBL457415
  • XDADSGBUZWZQQQ-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
Brc1ccncn1
Isomeric SMILES
C1=CN=CN=C1Br
InChI
InChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKey
XDADSGBUZWZQQQ-UHFFFAOYSA-N
PubChem CID
12752220

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 4-bromopyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-bromopyrimidine; 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