Basic information
- CAS
25386-51-0- Standard SMILES
N#CCCn1ccccc1=O- InChIKey
MJTBYZQWCCOBSJ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 3-(2-oxopyridin-1(2H)-yl)propanenitrile
- IUPAC
- 3-(2-oxo-1-pyridinyl)propanenitrile
- English name
- 3-(2-oxopyridin-1-yl)propanenitrile
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
3-(2-oxopyridin-1(2H)-yl)propanenitrile25386-51-03-(2-oxopyridin-1-yl)propanenitrileMFCD099377631(2H)-Pyridinepropanenitrile, 2-oxo-3-(2-oxo-1,2-dihydropyridin-1-yl)propanenitrile3-(2-oxohydropyridyl)propanenitrileNSC525259SCHEMBL27532529DTXSID303262003-(2-oxo-1-pyridyl)propanenitrileALBB-025514
Show more names
3-(2-keto-1-pyridyl)propionitrile
SBB072331AKOS000180616NSC-525259SB54298LS-085993-(2-oxo-1(2H)-pyridinyl)propanenitrileCS-0269446ST45027913
Database identifiers
- CAS
25386-51-0- PubChem CID
- 352175
- DTXSID
DTXSID30326200
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 257
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
Fluorochem Ltd[email protected]
COMBI-BLOCKS[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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