5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one

C15H16INO2 — CID 3011696

IUPAC5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(I)c1Oc1cccc(C)c1
InChIInChI=1S/C15H16INO2/c1-4-12-10(3)17-15(18)13(16)14(12)19-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyOTGDJMNGBDKAJV-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.95
Rot. Bonds3

About 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one

5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one (PubChem CID 3011696) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one
PubChem CID3011696
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(I)c1Oc1cccc(C)c1
InChIInChI=1S/C15H16INO2/c1-4-12-10(3)17-15(18)13(16)14(12)19-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyOTGDJMNGBDKAJV-UHFFFAOYSA-N
XLogP3.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-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 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one (CID 3011696) is 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(I)c1Oc1cccc(C)c1.
What is the InChIKey of 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one?
The InChIKey is OTGDJMNGBDKAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-4-12-10(3)17-15(18)13(16)14(12)19-11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one?
5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one has a molecular weight of 369.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one is sourced from PubChem (CID 3011696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).