1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one

C14H12INO2 — CID 62025283

IUPAC1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H12INO2/c1-10-3-2-4-14(18)16(10)9-13(17)11-5-7-12(15)8-6-11/h2-8H,9H2,1H3
InChIKeyRKUIBDZRZNTARE-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one

1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one (PubChem CID 62025283) has the molecular formula C14H12INO2 and a molecular weight of 353.16 g/mol. Its IUPAC name is 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one
PubChem CID62025283
Molecular FormulaC14H12INO2
Molecular Weight353.16 g/mol
Exact Mass352.99
IUPAC Name1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H12INO2/c1-10-3-2-4-14(18)16(10)9-13(17)11-5-7-12(15)8-6-11/h2-8H,9H2,1H3
InChIKeyRKUIBDZRZNTARE-UHFFFAOYSA-N
XLogP2.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.64
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 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one (CID 62025283) is 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The InChIKey is RKUIBDZRZNTARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO2/c1-10-3-2-4-14(18)16(10)9-13(17)11-5-7-12(15)8-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one?
1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one has a molecular weight of 353.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 62025283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).