5-iodo-1-methylpyridin-2-one

C6H6INO — CID 23424310

IUPAC5-iodo-1-methylpyridin-2-one
SMILESCn1cc(I)ccc1=O
InChIInChI=1S/C6H6INO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKeyRTQZQBKEGAUQLR-UHFFFAOYSA-N
MW235.02 g/mol
LogP0.99
Rot. Bonds

About 5-iodo-1-methylpyridin-2-one

5-iodo-1-methylpyridin-2-one (PubChem CID 23424310) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 5-iodo-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-iodo-1-methylpyridin-2-one
PubChem CID23424310
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name5-iodo-1-methylpyridin-2-one
SMILESCn1cc(I)ccc1=O
InChIInChI=1S/C6H6INO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKeyRTQZQBKEGAUQLR-UHFFFAOYSA-N
XLogP0.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 50.99
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 5-iodo-1-methylpyridin-2-one?
The IUPAC name of 5-iodo-1-methylpyridin-2-one (CID 23424310) is 5-iodo-1-methylpyridin-2-one.
What is the SMILES notation for 5-iodo-1-methylpyridin-2-one?
The canonical SMILES for 5-iodo-1-methylpyridin-2-one is Cn1cc(I)ccc1=O.
What is the InChIKey of 5-iodo-1-methylpyridin-2-one?
The InChIKey is RTQZQBKEGAUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3.
What are the key properties of 5-iodo-1-methylpyridin-2-one?
5-iodo-1-methylpyridin-2-one has a molecular weight of 235.02 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methylpyridin-2-one is sourced from PubChem (CID 23424310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).