6-oxopyran-2,4-dicarbonyl chloride

C7H2Cl2O4 — CID 10857038

IUPAC6-oxopyran-2,4-dicarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)oc(=O)c1
InChIInChI=1S/C7H2Cl2O4/c8-6(11)3-1-4(7(9)12)13-5(10)2-3/h1-2H
InChIKeyBTYAJHLFLMBOQD-UHFFFAOYSA-N
MW220.99 g/mol
LogP1.40
Rot. Bonds2

About 6-oxopyran-2,4-dicarbonyl chloride

6-oxopyran-2,4-dicarbonyl chloride (PubChem CID 10857038) has the molecular formula C7H2Cl2O4 and a molecular weight of 220.99 g/mol. Its IUPAC name is 6-oxopyran-2,4-dicarbonyl chloride.

Molecular Properties

Compound Name6-oxopyran-2,4-dicarbonyl chloride
PubChem CID10857038
Molecular FormulaC7H2Cl2O4
Molecular Weight220.99 g/mol
Exact Mass219.93
IUPAC Name6-oxopyran-2,4-dicarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)oc(=O)c1
InChIInChI=1S/C7H2Cl2O4/c8-6(11)3-1-4(7(9)12)13-5(10)2-3/h1-2H
InChIKeyBTYAJHLFLMBOQD-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.99
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxopyran-2,4-dicarbonyl chloride?
The IUPAC name of 6-oxopyran-2,4-dicarbonyl chloride (CID 10857038) is 6-oxopyran-2,4-dicarbonyl chloride.
What is the SMILES notation for 6-oxopyran-2,4-dicarbonyl chloride?
The canonical SMILES for 6-oxopyran-2,4-dicarbonyl chloride is O=C(Cl)c1cc(C(=O)Cl)oc(=O)c1.
What is the InChIKey of 6-oxopyran-2,4-dicarbonyl chloride?
The InChIKey is BTYAJHLFLMBOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2O4/c8-6(11)3-1-4(7(9)12)13-5(10)2-3/h1-2H.
What are the key properties of 6-oxopyran-2,4-dicarbonyl chloride?
6-oxopyran-2,4-dicarbonyl chloride has a molecular weight of 220.99 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopyran-2,4-dicarbonyl chloride is sourced from PubChem (CID 10857038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).