2,6-dichloropyran-4-one

C5H2Cl2O2 — CID 130027671

IUPAC2,6-dichloropyran-4-one
SMILESO=c1cc(Cl)oc(Cl)c1
InChIInChI=1S/C5H2Cl2O2/c6-4-1-3(8)2-5(7)9-4/h1-2H
InChIKeyJELJYDYCEBQZEW-UHFFFAOYSA-N
MW164.97 g/mol
LogP1.95
Rot. Bonds

About 2,6-dichloropyran-4-one

2,6-dichloropyran-4-one (PubChem CID 130027671) has the molecular formula C5H2Cl2O2 and a molecular weight of 164.97 g/mol. Its IUPAC name is 2,6-dichloropyran-4-one.

Molecular Properties

Compound Name2,6-dichloropyran-4-one
PubChem CID130027671
Molecular FormulaC5H2Cl2O2
Molecular Weight164.97 g/mol
Exact Mass163.94
IUPAC Name2,6-dichloropyran-4-one
SMILESO=c1cc(Cl)oc(Cl)c1
InChIInChI=1S/C5H2Cl2O2/c6-4-1-3(8)2-5(7)9-4/h1-2H
InChIKeyJELJYDYCEBQZEW-UHFFFAOYSA-N
XLogP1.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.97
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyran-4-one?
The IUPAC name of 2,6-dichloropyran-4-one (CID 130027671) is 2,6-dichloropyran-4-one.
What is the SMILES notation for 2,6-dichloropyran-4-one?
The canonical SMILES for 2,6-dichloropyran-4-one is O=c1cc(Cl)oc(Cl)c1.
What is the InChIKey of 2,6-dichloropyran-4-one?
The InChIKey is JELJYDYCEBQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2O2/c6-4-1-3(8)2-5(7)9-4/h1-2H.
What are the key properties of 2,6-dichloropyran-4-one?
2,6-dichloropyran-4-one has a molecular weight of 164.97 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyran-4-one is sourced from PubChem (CID 130027671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).