Basic information
- CAS
7424-56-8- Standard SMILES
N#CC(C#N)=Cc1cccnc1- InChIKey
JMPHHFYSCUHMAL-UHFFFAOYSA-N- Molecular formula
- C9H5N3
- Average molar mass
- 155.16 g/mol
- Monoisotopic mass
- 155.04834717
Names & identifiers
- Preferred name
- 2-(3-Pyridinylmethylene)propanedinitrile
- IUPAC
- 2-(pyridin-3-ylmethylidene)propanedinitrile
- English name
- 2-(pyridin-3-ylmethylidene)propanedinitrile
- Molecular formula
- C9H5N3
- Molecular weight
- 0
Names & synonyms
7424-56-8MALONONITRILE, (3-PYRIDYLMETHYLENE)-Propanedinitrile, (3-pyridinylmethylene)-DTXSID302252292-(3-Pyridinylmethylene)propanedinitrileRefChem:1061114DTXCID801477202-(pyridin-3-ylmethylidene)propanedinitrile3-Pyridylmethylenemalononitrile2-[(pyridin-3-yl)methylidene]propanedinitrile2-(pyridin-3-ylmethylene)malononitrile35MD2WSM7Q
Show more names
(3-Pyridinylmethylene)malononitrile2-(3-Pyridylmethylene)malononitrile2-(3-Pyridinylmethylene)malononitrile(pyridin-3-ylmethylidene)propanedinitrile
(3-Pyridylmethylene)malononitrileNSC-1025792-((PYRIDIN-3-YL)METHYLIDENE)PROPANEDINITRILEF0192-0845NSC 102579BRN 0118555NSC102579Tyrphostin deriv. 1
Database identifiers
- CAS
7424-56-8- PubChem CID
- 23905
- DTXSID
DTXSID30225229- ChEMBL
CHEMBL56281- UNII
- 35MD2WSM7Q
- Nikkaji
- J41.631B
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
- 255
Experimental & physicochemical properties
Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- FDA UNII
- 35 MD2WSM7Q · 35MD2WSM7Q
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…