4-iodo-3H-pyridin-2-one

C5H4INO — CID 91480799

IUPAC4-iodo-3H-pyridin-2-one
SMILESO=C1CC(I)=CC=N1
InChIInChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKeyGRVSGGNZRNHMQI-UHFFFAOYSA-N
MW221.00 g/mol
LogP1.31
Rot. Bonds

About 4-iodo-3H-pyridin-2-one

4-iodo-3H-pyridin-2-one (PubChem CID 91480799) has the molecular formula C5H4INO and a molecular weight of 221.00 g/mol. Its IUPAC name is 4-iodo-3H-pyridin-2-one.

Molecular Properties

Compound Name4-iodo-3H-pyridin-2-one
PubChem CID91480799
Molecular FormulaC5H4INO
Molecular Weight221.00 g/mol
Exact Mass220.93
IUPAC Name4-iodo-3H-pyridin-2-one
SMILESO=C1CC(I)=CC=N1
InChIInChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKeyGRVSGGNZRNHMQI-UHFFFAOYSA-N
XLogP1.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3H-pyridin-2-one?
The IUPAC name of 4-iodo-3H-pyridin-2-one (CID 91480799) is 4-iodo-3H-pyridin-2-one.
What is the SMILES notation for 4-iodo-3H-pyridin-2-one?
The canonical SMILES for 4-iodo-3H-pyridin-2-one is O=C1CC(I)=CC=N1.
What is the InChIKey of 4-iodo-3H-pyridin-2-one?
The InChIKey is GRVSGGNZRNHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2.
What are the key properties of 4-iodo-3H-pyridin-2-one?
4-iodo-3H-pyridin-2-one has a molecular weight of 221.00 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3H-pyridin-2-one is sourced from PubChem (CID 91480799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).