5-hydroxy-2-iodopyran-4-one

C5H3IO3 — CID 137395321

IUPAC5-hydroxy-2-iodopyran-4-one
SMILESO=c1cc(I)occ1O
InChIInChI=1S/C5H3IO3/c6-5-1-3(7)4(8)2-9-5/h1-2,8H
InChIKeyCZIVEZCPPFPGGA-UHFFFAOYSA-N
MW237.98 g/mol
LogP0.95
Rot. Bonds

About 5-hydroxy-2-iodopyran-4-one

5-hydroxy-2-iodopyran-4-one (PubChem CID 137395321) has the molecular formula C5H3IO3 and a molecular weight of 237.98 g/mol. Its IUPAC name is 5-hydroxy-2-iodopyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-iodopyran-4-one
PubChem CID137395321
Molecular FormulaC5H3IO3
Molecular Weight237.98 g/mol
Exact Mass237.91
IUPAC Name5-hydroxy-2-iodopyran-4-one
SMILESO=c1cc(I)occ1O
InChIInChI=1S/C5H3IO3/c6-5-1-3(7)4(8)2-9-5/h1-2,8H
InChIKeyCZIVEZCPPFPGGA-UHFFFAOYSA-N
XLogP0.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.98
LogP ≤ 50.95
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 5-hydroxy-2-iodopyran-4-one?
The IUPAC name of 5-hydroxy-2-iodopyran-4-one (CID 137395321) is 5-hydroxy-2-iodopyran-4-one.
What is the SMILES notation for 5-hydroxy-2-iodopyran-4-one?
The canonical SMILES for 5-hydroxy-2-iodopyran-4-one is O=c1cc(I)occ1O.
What is the InChIKey of 5-hydroxy-2-iodopyran-4-one?
The InChIKey is CZIVEZCPPFPGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IO3/c6-5-1-3(7)4(8)2-9-5/h1-2,8H.
What are the key properties of 5-hydroxy-2-iodopyran-4-one?
5-hydroxy-2-iodopyran-4-one has a molecular weight of 237.98 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-iodopyran-4-one is sourced from PubChem (CID 137395321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).