3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one

C6H5IO4 — CID 6451652

IUPAC3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one
SMILESO=c1cc(CO)oc(I)c1O
InChIInChI=1S/C6H5IO4/c7-6-5(10)4(9)1-3(2-8)11-6/h1,8,10H,2H2
InChIKeyBYCBPFTYBNDJQL-UHFFFAOYSA-N
MW268.01 g/mol
LogP0.44
Rot. Bonds1

About 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one

3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one (PubChem CID 6451652) has the molecular formula C6H5IO4 and a molecular weight of 268.01 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one
PubChem CID6451652
Molecular FormulaC6H5IO4
Molecular Weight268.01 g/mol
Exact Mass267.92
IUPAC Name3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one
SMILESO=c1cc(CO)oc(I)c1O
InChIInChI=1S/C6H5IO4/c7-6-5(10)4(9)1-3(2-8)11-6/h1,8,10H,2H2
InChIKeyBYCBPFTYBNDJQL-UHFFFAOYSA-N
XLogP0.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-6-(hydroxymethyl)-2-iodopyran-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one (CID 6451652) is 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one is O=c1cc(CO)oc(I)c1O.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one?
The InChIKey is BYCBPFTYBNDJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO4/c7-6-5(10)4(9)1-3(2-8)11-6/h1,8,10H,2H2.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one?
3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one has a molecular weight of 268.01 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-2-iodopyran-4-one is sourced from PubChem (CID 6451652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).