Molecular properties
- Formula
- C5H3N3
- Molar mass
- 105.10 g·mol−1
- Exact mass
- 105.0327 Da
- 6
- PubChem CID
- 2757979
Molecule record
pyrimidine-2-carbonitrile
C5H3N3
105.10 g/mol
Loading structure
Functional groups
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 14080-23-0
- 2-Cyanopyrimidine
- 2-Pyrimidinecarbonitrile
- 2-Pyrimidinecarbonitrile, 97%
- 2-cyano-pyrimidine
- 604-202-5
- ALBB-006249
- Benzene,1-ethenyl-7-nitro-
Show all 24 synonyms
- Bosentan impurity
- CHEMBL3352946
- CS-D1157
- DTXSID40864466
- F2173-0037
- HY-Y0241
- MFCD00160513
- RefChem:470765
- SCHEMBL151679
- SCHEMBL448358
- SCHEMBL450775
- SMSSF-0613821
- cyanopyrimidine
- orb1220354
- orb1299809
- pyrimidin-2-carbonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1ncccn1
- Isomeric SMILES
- C1=CN=C(N=C1)C#N
- InChI
- InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
- InChIKey
- IIHQNAXFIODVDU-UHFFFAOYSA-N
- PubChem CID
- 2757979
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 pyrimidine-2-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for pyrimidine-2-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.