Basic information
- CAS
17638-20-9- Standard SMILES
N#Cc1cc(C#N)c(C#N)nc1C#N- InChIKey
RRZLWIPIQKXHAS-UHFFFAOYSA-N- Molecular formula
- C9HN5
- Average molar mass
- 179.14 g/mol
- Monoisotopic mass
- 179.02319505
Names & identifiers
- Preferred name
- 2,3,5,6-Pyridinetetracarbonitrile
- IUPAC
- pyridine-2,3,5,6-tetracarbonitrile
- English name
- 2,3,5,6-Pyridinetetracarbonitrile
- Molecular formula
- C9HN5
- Molecular weight
- 179.14
Names & synonyms
2,3,5,6-Pyridinetetracarbonitrile17638-20-9DTXSID20170118RefChem:81350DTXCID6092609RRZLWIPIQKXHAS-UHFFFAOYSA-Npyridine-2,3,5,6-tetracarbonitrileSCHEMBL57747
Database identifiers
- CAS
17638-20-9- PubChem CID
- 140262
- DTXSID
DTXSID20170118- Nikkaji
- J112.540K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 478.5 · 478.5±45.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -12.76 · -12.76±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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