Molecular properties
- Formula
- C5H5N3
- Molar mass
- 107.12 g·mol−1
- Exact mass
- 107.0483 Da
- 5
- PubChem CID
- 23287905
Molecule record
2H-pyrimidine-1-carbonitrile
C5H5N3
107.12 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Nitrile
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 3-cyanopyrimidine
- BFKYQYMHJANOTR-UHFFFAOYSA-N
- SCHEMBL2719325
- pyrimidine-3-carbonitrile
Structure identifiers
- Canonical SMILES
- N#CN1C=CC=NC1
- Isomeric SMILES
- C1N=CC=CN1C#N
- InChI
- InChI=1S/C5H5N3/c6-4-8-3-1-2-7-5-8/h1-3H,5H2
- InChIKey
- BFKYQYMHJANOTR-UHFFFAOYSA-N
- PubChem CID
- 23287905
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 2H-pyrimidine-1-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2H-pyrimidine-1-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.