5-hydroxy-2-(iodomethyl)pyran-4-one

C6H5IO3 — CID 14348899

IUPAC5-hydroxy-2-(iodomethyl)pyran-4-one
SMILESO=c1cc(CI)occ1O
InChIInChI=1S/C6H5IO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
InChIKeyAZUVDYQFPSARIG-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.28
Rot. Bonds1

About 5-hydroxy-2-(iodomethyl)pyran-4-one

5-hydroxy-2-(iodomethyl)pyran-4-one (PubChem CID 14348899) has the molecular formula C6H5IO3 and a molecular weight of 252.01 g/mol. Its IUPAC name is 5-hydroxy-2-(iodomethyl)pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(iodomethyl)pyran-4-one
PubChem CID14348899
Molecular FormulaC6H5IO3
Molecular Weight252.01 g/mol
Exact Mass251.93
IUPAC Name5-hydroxy-2-(iodomethyl)pyran-4-one
SMILESO=c1cc(CI)occ1O
InChIInChI=1S/C6H5IO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
InChIKeyAZUVDYQFPSARIG-UHFFFAOYSA-N
XLogP1.28
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Maltol
CID 8369
4H-Pyran-4-one, 5-hydroxy-2-methyl-
CID 69521
Kojic acid, 2-bromomethyl analog
CID 10976603
(3-Hydroxy-2-methylpyran-4-ylidene)oxidanium
CID 58185787
2-Difluoromethyl-5-hydroxy-pyran-4-one
CID 59818298
2-(Fluoromethyl)-5-hydroxypyran-4-one
CID 88588068
[6-(Difluoromethyl)-4-oxopyran-3-yl]oxidanium
CID 164082736
2-Ethyl-5-hydroxypyran-4-one
CID 12371854
Maltol-d3
CID 131667865
3-Hydroxy-2-prop-2-enylpyran-4-one
CID 12225883
2-Bromo-3-hydroxy-6-(iodomethyl)pyran-4-one
CID 21271290
5-hydroxy-4-oxo-4H-pyran-2-carbaldehyde
CID 22404012

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(iodomethyl)pyran-4-one?
The IUPAC name of 5-hydroxy-2-(iodomethyl)pyran-4-one (CID 14348899) is 5-hydroxy-2-(iodomethyl)pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-(iodomethyl)pyran-4-one?
The canonical SMILES for 5-hydroxy-2-(iodomethyl)pyran-4-one is O=c1cc(CI)occ1O.
What is the InChIKey of 5-hydroxy-2-(iodomethyl)pyran-4-one?
The InChIKey is AZUVDYQFPSARIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2.
What are the key properties of 5-hydroxy-2-(iodomethyl)pyran-4-one?
5-hydroxy-2-(iodomethyl)pyran-4-one has a molecular weight of 252.01 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(iodomethyl)pyran-4-one is sourced from PubChem (CID 14348899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).