1,4-Bis(6-chloropyridin-3-yl)butane-1,4-dione
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(CCC(=O)c1ccc(Cl)nc1)c1ccc(Cl)nc1- InChIKey
ZUXPEZNIVJLHLF-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N2O2
- Average molar mass
- 309.1 g/mol
Names & identifiers
- Preferred name
- 1,4-Bis(6-chloropyridin-3-yl)butane-1,4-dione
- IUPAC
- 1,4-bis(6-chloro-3-pyridinyl)butane-1,4-dione
Names & synonyms
SCHEMBL1985578ZUXPEZNIVJLHLF-UHFFFAOYSA-N1,4-bis(6-chloropyridin-3-yl)butane-1,4-dione
Database identifiers
- PubChem CID
- 59617025
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
4 records
Compound notes
Loading…