3-hydroxy-2,6-diiodopyran-4-one

C5H2I2O3 — CID 129141123

IUPAC3-hydroxy-2,6-diiodopyran-4-one
SMILESO=c1cc(I)oc(I)c1O
InChIInChI=1S/C5H2I2O3/c6-3-1-2(8)4(9)5(7)10-3/h1,9H
InChIKeySFJDJKXWHUHIAF-UHFFFAOYSA-N
MW363.88 g/mol
LogP1.55
Rot. Bonds

About 3-hydroxy-2,6-diiodopyran-4-one

3-hydroxy-2,6-diiodopyran-4-one (PubChem CID 129141123) has the molecular formula C5H2I2O3 and a molecular weight of 363.88 g/mol. Its IUPAC name is 3-hydroxy-2,6-diiodopyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2,6-diiodopyran-4-one
PubChem CID129141123
Molecular FormulaC5H2I2O3
Molecular Weight363.88 g/mol
Exact Mass363.81
IUPAC Name3-hydroxy-2,6-diiodopyran-4-one
SMILESO=c1cc(I)oc(I)c1O
InChIInChI=1S/C5H2I2O3/c6-3-1-2(8)4(9)5(7)10-3/h1,9H
InChIKeySFJDJKXWHUHIAF-UHFFFAOYSA-N
XLogP1.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.88
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,6-diiodopyran-4-one?
The IUPAC name of 3-hydroxy-2,6-diiodopyran-4-one (CID 129141123) is 3-hydroxy-2,6-diiodopyran-4-one.
What is the SMILES notation for 3-hydroxy-2,6-diiodopyran-4-one?
The canonical SMILES for 3-hydroxy-2,6-diiodopyran-4-one is O=c1cc(I)oc(I)c1O.
What is the InChIKey of 3-hydroxy-2,6-diiodopyran-4-one?
The InChIKey is SFJDJKXWHUHIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2I2O3/c6-3-1-2(8)4(9)5(7)10-3/h1,9H.
What are the key properties of 3-hydroxy-2,6-diiodopyran-4-one?
3-hydroxy-2,6-diiodopyran-4-one has a molecular weight of 363.88 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,6-diiodopyran-4-one is sourced from PubChem (CID 129141123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).