1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one

C14H10F4INO2 — CID 160605392

IUPAC1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
SMILESCOc1cc(F)c(-c2ccc(I)c(=O)n2CC(F)F)c(F)c1
InChIInChI=1S/C14H10F4INO2/c1-22-7-4-8(15)13(9(16)5-7)11-3-2-10(19)14(21)20(11)6-12(17)18/h2-5,12H,6H2,1H3
InChIKeyOVTXSHMOIYCAHK-UHFFFAOYSA-N
MW427.14 g/mol
LogP3.67
Rot. Bonds4

About 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one

1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one (PubChem CID 160605392) has the molecular formula C14H10F4INO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
PubChem CID160605392
Molecular FormulaC14H10F4INO2
Molecular Weight427.14 g/mol
Exact Mass426.97
IUPAC Name1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
SMILESCOc1cc(F)c(-c2ccc(I)c(=O)n2CC(F)F)c(F)c1
InChIInChI=1S/C14H10F4INO2/c1-22-7-4-8(15)13(9(16)5-7)11-3-2-10(19)14(21)20(11)6-12(17)18/h2-5,12H,6H2,1H3
InChIKeyOVTXSHMOIYCAHK-UHFFFAOYSA-N
XLogP3.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.14
LogP ≤ 53.67
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 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one (CID 160605392) is 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one is COc1cc(F)c(-c2ccc(I)c(=O)n2CC(F)F)c(F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one?
The InChIKey is OVTXSHMOIYCAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4INO2/c1-22-7-4-8(15)13(9(16)5-7)11-3-2-10(19)14(21)20(11)6-12(17)18/h2-5,12H,6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one?
1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one has a molecular weight of 427.14 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one is sourced from PubChem (CID 160605392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).