2,3-Bis(pyridin-4-yl)propanenitrile
Basic information
- CAS
1311317-18-6- Standard SMILES
N#CC(Cc1ccncc1)c1ccncc1- InChIKey
OESHQDCDDFSLDN-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 2,3-Bis(pyridin-4-yl)propanenitrile
- IUPAC
- 2,3-dipyridin-4-ylpropanenitrile
- English name
- 2,3-bis(pyridin-4-yl)propanenitrile
- Molecular formula
- C13H11N3
- Molecular weight
- 209.25
Names & synonyms
2,3-bis(pyridin-4-yl)propanenitrile1311317-18-62,3-Di(pyridin-4-yl)propanenitrile2,3-dipyridin-4-ylpropanenitrileorb3214256SCHEMBL207106042,3-bis(4-pyridyl)propanenitrileDTXSID201275177AKOS033550733CS-03050224-Pyridinepropanenitrile, I+/--4-pyridinyl-EN300-76045
Show more names
4-Pyridinepropanenitrile, α-4-pyridinyl-
Database identifiers
- CAS
1311317-18-6- PubChem CID
- 54593045
- DTXSID
DTXSID201275177
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 392.7 · 392.7±32.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 5.38 · 5.38±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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