2-iodopyran-4-one

C5H3IO2 — CID 54509914

IUPAC2-iodopyran-4-one
SMILESO=c1ccoc(I)c1
InChIInChI=1S/C5H3IO2/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKeyYIJQPLMETWIIPS-UHFFFAOYSA-N
MW221.98 g/mol
LogP1.24
Rot. Bonds

About 2-iodopyran-4-one

2-iodopyran-4-one (PubChem CID 54509914) has the molecular formula C5H3IO2 and a molecular weight of 221.98 g/mol. Its IUPAC name is 2-iodopyran-4-one.

Molecular Properties

Compound Name2-iodopyran-4-one
PubChem CID54509914
Molecular FormulaC5H3IO2
Molecular Weight221.98 g/mol
Exact Mass221.92
IUPAC Name2-iodopyran-4-one
SMILESO=c1ccoc(I)c1
InChIInChI=1S/C5H3IO2/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKeyYIJQPLMETWIIPS-UHFFFAOYSA-N
XLogP1.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.98
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodopyran-4-one?
The IUPAC name of 2-iodopyran-4-one (CID 54509914) is 2-iodopyran-4-one.
What is the SMILES notation for 2-iodopyran-4-one?
The canonical SMILES for 2-iodopyran-4-one is O=c1ccoc(I)c1.
What is the InChIKey of 2-iodopyran-4-one?
The InChIKey is YIJQPLMETWIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IO2/c6-5-3-4(7)1-2-8-5/h1-3H.
What are the key properties of 2-iodopyran-4-one?
2-iodopyran-4-one has a molecular weight of 221.98 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopyran-4-one is sourced from PubChem (CID 54509914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).