1-[2-(2-iodophenoxy)ethyl]pyridin-2-one

C13H12INO2 — CID 78917316

IUPAC1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccccc1I
InChIInChI=1S/C13H12INO2/c14-11-5-1-2-6-12(11)17-10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2
InChIKeyCALGXPUBAZQGQT-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one

1-[2-(2-iodophenoxy)ethyl]pyridin-2-one (PubChem CID 78917316) has the molecular formula C13H12INO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
PubChem CID78917316
Molecular FormulaC13H12INO2
Molecular Weight341.15 g/mol
Exact Mass340.99
IUPAC Name1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccccc1I
InChIInChI=1S/C13H12INO2/c14-11-5-1-2-6-12(11)17-10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2
InChIKeyCALGXPUBAZQGQT-UHFFFAOYSA-N
XLogP2.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
CID 82897733
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899377
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
CID 43289161
3-(2-iodophenoxy)propanal
CID 63039119
1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one
CID 82899534
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590
3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride
CID 82911095
1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 78917301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one (CID 78917316) is 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccccc1I.
What is the InChIKey of 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one?
The InChIKey is CALGXPUBAZQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2/c14-11-5-1-2-6-12(11)17-10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2.
What are the key properties of 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one?
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one has a molecular weight of 341.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-iodophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 78917316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).