3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one

C13H12INO2 — CID 25136620

IUPAC3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one
SMILESCOc1c(-c2ccccc2)cn(C)c(=O)c1I
InChIInChI=1S/C13H12INO2/c1-15-8-10(9-6-4-3-5-7-9)12(17-2)11(14)13(15)16/h3-8H,1-2H3
InChIKeyZIDVUVUPDYFQRZ-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.67
Rot. Bonds2

About 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one

3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one (PubChem CID 25136620) has the molecular formula C13H12INO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one.

Molecular Properties

Compound Name3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one
PubChem CID25136620
Molecular FormulaC13H12INO2
Molecular Weight341.15 g/mol
Exact Mass340.99
IUPAC Name3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one
SMILESCOc1c(-c2ccccc2)cn(C)c(=O)c1I
InChIInChI=1S/C13H12INO2/c1-15-8-10(9-6-4-3-5-7-9)12(17-2)11(14)13(15)16/h3-8H,1-2H3
InChIKeyZIDVUVUPDYFQRZ-UHFFFAOYSA-N
XLogP2.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one?
The IUPAC name of 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one (CID 25136620) is 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one.
What is the SMILES notation for 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one?
The canonical SMILES for 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one is COc1c(-c2ccccc2)cn(C)c(=O)c1I.
What is the InChIKey of 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one?
The InChIKey is ZIDVUVUPDYFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2/c1-15-8-10(9-6-4-3-5-7-9)12(17-2)11(14)13(15)16/h3-8H,1-2H3.
What are the key properties of 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one?
3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one has a molecular weight of 341.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one is sourced from PubChem (CID 25136620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).