Molecular properties
- Formula
- C4H3IN2
- Molar mass
- 205.99 g·mol−1
- Exact mass
- 205.9341 Da
- 4
- PubChem CID
- 17753392
Molecule record
4-iodopyrimidine
C4H3IN2
205.99 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
- 31462-57-4
- 6-iodo pyrimidine
- 844-510-9
- AKOS015892438
- CS-0308688
- CS-45782
- DB-106856
- DTXCID70541591
Show all 17 synonyms
- DTXSID70590827
- EN300-127381
- MFCD16251620
- RefChem:99481
- SB13069
- SCHEMBL171767
- SCHEMBL17263863
- SCHEMBL30296951
- SY040319
Structure identifiers
- Canonical SMILES
- Ic1ccncn1
- Isomeric SMILES
- C1=CN=CN=C1I
- InChI
- InChI=1S/C4H3IN2/c5-4-1-2-6-3-7-4/h1-3H
- InChIKey
- USYVBQLOSZDDBE-UHFFFAOYSA-N
- PubChem CID
- 17753392
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 4-iodopyrimidine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-iodopyrimidine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.