Molecular properties
- Formula
- C4H5BrN2
- Molar mass
- 161.00 g·mol−1
- Exact mass
- 159.9636 Da
- 3
- PubChem CID
- 20485635
Molecule record
1-bromo-2H-pyrimidine
C4H5BrN2
161.00 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-bromo-pyrimidine
- 3-bromopyrimidine
- CFQSLSADICTBSC-UHFFFAOYSA-N
- SCHEMBL3174786
- SCHEMBL661921
Structure identifiers
- Canonical SMILES
- BrN1C=CC=NC1
- Isomeric SMILES
- C1N=CC=CN1Br
- InChI
- InChI=1S/C4H5BrN2/c5-7-3-1-2-6-4-7/h1-3H,4H2
- InChIKey
- CFQSLSADICTBSC-UHFFFAOYSA-N
- PubChem CID
- 20485635
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 1-bromo-2H-pyrimidine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-bromo-2H-pyrimidine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.