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

C6H6INO — CID 42553066

IUPAC3-iodo-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(I)c1
InChIInChI=1S/C6H6INO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKeyASWXKNUHPBTHJI-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.29
Rot. Bonds

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

3-iodo-5-methyl-1H-pyridin-2-one (PubChem CID 42553066) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 3-iodo-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-5-methyl-1H-pyridin-2-one
PubChem CID42553066
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name3-iodo-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(I)c1
InChIInChI=1S/C6H6INO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKeyASWXKNUHPBTHJI-UHFFFAOYSA-N
XLogP1.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-iodo-5-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-iodo-5-methyl-1H-pyridin-2-one (CID 42553066) is 3-iodo-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(I)c1.
What is the InChIKey of 3-iodo-5-methyl-1H-pyridin-2-one?
The InChIKey is ASWXKNUHPBTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9).
What are the key properties of 3-iodo-5-methyl-1H-pyridin-2-one?
3-iodo-5-methyl-1H-pyridin-2-one has a molecular weight of 235.02 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 42553066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).