1-Phenyl-3-(4-pyridinyl)-1,3-propanedione
Basic information
- CAS
6312-20-5- Standard SMILES
O=C(CC(=O)c1ccncc1)c1ccccc1- InChIKey
ALJURYJXCXVZFN-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione
- IUPAC
- 1-phenyl-3-pyridin-4-ylpropane-1,3-dione
Names & synonyms
NSC426796312-20-51-PHENYL-3-(PYRIDIN-4-YL)PROPANE-1,3-DIONEMLS002608436CHEMBL1443628NSC-426791-phenyl-3-(4-pyridinyl)-1,3-propanedioneNCIStruc1_000629NCIStruc2_000576SCHEMBL8053052DTXSID00285719HMS3078G06
Show more names
NCI42679BDBM50629445CCG-37900NCGC00013509HS-4550NCGC00013509-02NCGC00096623-01NCI60_003981
Database identifiers
- CAS
6312-20-5- PubChem CID
- 238347
- DTXSID
DTXSID00285719- ChEMBL
CHEMBL1443628- Nikkaji
- J2.952.276F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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