4-iodo-1H-pyridin-2-one

C5H4INO — CID 20582535

IUPAC4-iodo-1H-pyridin-2-one
SMILESO=c1cc(I)cc[nH]1
InChIInChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeyPOHJRJNCZQENQG-UHFFFAOYSA-N
MW221.00 g/mol
LogP0.98
Rot. Bonds

About 4-iodo-1H-pyridin-2-one

4-iodo-1H-pyridin-2-one (PubChem CID 20582535) has the molecular formula C5H4INO and a molecular weight of 221.00 g/mol. Its IUPAC name is 4-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-iodo-1H-pyridin-2-one
PubChem CID20582535
Molecular FormulaC5H4INO
Molecular Weight221.00 g/mol
Exact Mass220.93
IUPAC Name4-iodo-1H-pyridin-2-one
SMILESO=c1cc(I)cc[nH]1
InChIInChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeyPOHJRJNCZQENQG-UHFFFAOYSA-N
XLogP0.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pyridone
CID 8871
3,5-Diiodopyridin-2-ol
CID 293093
2-Hydroxy-5-iodopyridine
CID 459500
3-Iodopyridin-2-ol
CID 13636536
3-Fluoro-2-hydroxypyridine
CID 2783363
4-Amino-1,2-dihydropyridin-2-one
CID 573530
4-Bromo-2-hydroxypyridine
CID 817115
5-Amino-2-hydroxypyridine
CID 818256
4-Chloropyridin-2-ol
CID 2757611
4-Fluoropyridin-2(1H)-one
CID 338459
5-Fluoro-2-hydroxypyridine
CID 2762864
6-Iodopyridin-2(1H)-one
CID 11746168

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1H-pyridin-2-one?
The IUPAC name of 4-iodo-1H-pyridin-2-one (CID 20582535) is 4-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-iodo-1H-pyridin-2-one is O=c1cc(I)cc[nH]1.
What is the InChIKey of 4-iodo-1H-pyridin-2-one?
The InChIKey is POHJRJNCZQENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8).
What are the key properties of 4-iodo-1H-pyridin-2-one?
4-iodo-1H-pyridin-2-one has a molecular weight of 221.00 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1H-pyridin-2-one is sourced from PubChem (CID 20582535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).