5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one

C8H8INO2 — CID 71300224

IUPAC5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(I)c(=O)[nH]c1C
InChIInChI=1S/C8H8INO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChIKeyXVXNPHHEOBYYAE-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.49
Rot. Bonds1

About 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one

5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one (PubChem CID 71300224) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one
PubChem CID71300224
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(I)c(=O)[nH]c1C
InChIInChI=1S/C8H8INO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChIKeyXVXNPHHEOBYYAE-UHFFFAOYSA-N
XLogP1.49
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.49
H-Bond Donors ≤ 51
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-acetyl-3-iodo-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one (CID 71300224) is 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one is CC(=O)c1cc(I)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one?
The InChIKey is XVXNPHHEOBYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12).
What are the key properties of 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one?
5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one has a molecular weight of 277.06 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 71300224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).