1-Phenyl-3-(pyridin-3-yl)propane-1,3-dione
Basic information
- CAS
10472-95-4- Standard SMILES
O=C(CC(=O)c1cccnc1)c1ccccc1- InChIKey
FOMJZUPHLPTMFP-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 1-Phenyl-3-(pyridin-3-yl)propane-1,3-dione
- IUPAC
- 1-phenyl-3-pyridin-3-ylpropane-1,3-dione
Names & synonyms
10472-95-41-phenyl-3-(pyridin-3-yl)propane-1,3-dioneMLS0026084571,3-Propanedione,1-phenyl-3-(3-pyridinyl)-CHEMBL1875205NSC 427933-phenyl-1-(3-pyridyl)propane-1,3-dione1-phenyl-3-pyridin-3-ylpropane-1,3-dioneNSC42793SCHEMBL4625207SCHEMBL30440488DTXSID60285790
Show more names
HMS3080P23BDBM50629444NSC-42793SBB061756AKOS009304645SMR001527205DB-089389ST51047740
Database identifiers
- CAS
10472-95-4- PubChem CID
- 238447
- DTXSID
DTXSID60285790- ChEMBL
CHEMBL1875205- Nikkaji
- J2.952.275H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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