6-iodo-1H-pyridin-2-one

C5H4INO — CID 11746168

IUPAC6-iodo-1H-pyridin-2-one
SMILESO=c1cccc(I)[nH]1
InChIInChI=1S/C5H4INO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKeyTXADHUCOCBXXQO-UHFFFAOYSA-N
MW221.00 g/mol
LogP0.98
Rot. Bonds

About 6-iodo-1H-pyridin-2-one

6-iodo-1H-pyridin-2-one (PubChem CID 11746168) has the molecular formula C5H4INO and a molecular weight of 221.00 g/mol. Its IUPAC name is 6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-iodo-1H-pyridin-2-one
PubChem CID11746168
Molecular FormulaC5H4INO
Molecular Weight221.00 g/mol
Exact Mass220.93
IUPAC Name6-iodo-1H-pyridin-2-one
SMILESO=c1cccc(I)[nH]1
InChIInChI=1S/C5H4INO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKeyTXADHUCOCBXXQO-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-1H-pyridin-2-one?
The IUPAC name of 6-iodo-1H-pyridin-2-one (CID 11746168) is 6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 6-iodo-1H-pyridin-2-one?
The canonical SMILES for 6-iodo-1H-pyridin-2-one is O=c1cccc(I)[nH]1.
What is the InChIKey of 6-iodo-1H-pyridin-2-one?
The InChIKey is TXADHUCOCBXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8).
What are the key properties of 6-iodo-1H-pyridin-2-one?
6-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 6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 11746168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).