5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one

C11H16INO3 — CID 75456585

IUPAC5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one
SMILESCOCCOCCn1cc(I)cc(C)c1=O
InChIInChI=1S/C11H16INO3/c1-9-7-10(12)8-13(11(9)14)3-4-16-6-5-15-2/h7-8H,3-6H2,1-2H3
InChIKeyJRYAAADVCZMDJR-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.42
Rot. Bonds6

About 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one

5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one (PubChem CID 75456585) has the molecular formula C11H16INO3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one
PubChem CID75456585
Molecular FormulaC11H16INO3
Molecular Weight337.16 g/mol
Exact Mass337.02
IUPAC Name5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one
SMILESCOCCOCCn1cc(I)cc(C)c1=O
InChIInChI=1S/C11H16INO3/c1-9-7-10(12)8-13(11(9)14)3-4-16-6-5-15-2/h7-8H,3-6H2,1-2H3
InChIKeyJRYAAADVCZMDJR-UHFFFAOYSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one (CID 75456585) is 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one is COCCOCCn1cc(I)cc(C)c1=O.
What is the InChIKey of 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one?
The InChIKey is JRYAAADVCZMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO3/c1-9-7-10(12)8-13(11(9)14)3-4-16-6-5-15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one?
5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one has a molecular weight of 337.16 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 75456585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).