2-(4-Pyridinylmethylene)propanedinitrile
Basic information
- CAS
63080-75-1- Standard SMILES
N#CC(C#N)=Cc1ccncc1- InChIKey
VEURXLCIKUWIPW-UHFFFAOYSA-N- Molecular formula
- C9H5N3
- Average molar mass
- 155.16 g/mol
- Monoisotopic mass
- 155.04834717
Names & identifiers
- Preferred name
- 2-(4-Pyridinylmethylene)propanedinitrile
- IUPAC
- 2-(pyridin-4-ylmethylidene)propanedinitrile
- English name
- RARECHEM AL BX 0097
- Molecular formula
- C9H5N3
- Molecular weight
- 155.16
Names & synonyms
63080-75-1MALONONITRILE, (4-PYRIDYLMETHYLENE)-DTXSID10212410RefChem:1061341DTXCID101349012-(4-Pyridinylmethylene)propanedinitrile1,1-dicyano-2-(pyridine-4-yl)ethylene2-(pyridin-4-ylmethylidene)propanedinitrile2-[(pyridin-4-yl)methylidene]propanedinitrileBRN 35389244-(Pyridylmethylene)malononitrile2-(4-pyridylmethylene)propanedinitrile
Show more names
RARECHEM AL BX 00974-pyridinylmethylenepropanedinitrilePropanedinitrile, 2-(4-pyridinylmethylene)-
CHEMBL777374-(2,2-dicyanovinyl)pyridineBDBM4372SCHEMBL7708384VEURXLCIKUWIPW-UHFFFAOYSA-N4-pyridinylmethylen-propanedinitrilMFCD01715954AKOS002951299
Database identifiers
- CAS
63080-75-1- PubChem CID
- 44390
- DTXSID
DTXSID10212410- ChEMBL
CHEMBL77737- Nikkaji
- J147.656D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 220 °C · >220 °C
- Boiling point
- 326.4 · 326.4±27.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 2.1 · 2.10±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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