[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite

C12H10FIN2O5S — CID 70844205

IUPAC[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite
SMILESCOc1c(OI)ncnc1Oc1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C12H10FIN2O5S/c1-19-10-11(15-6-16-12(10)21-14)20-9-4-3-7(5-8(9)13)22(2,17)18/h3-6H,1-2H3
InChIKeyHYJTXRCXSZYQRS-UHFFFAOYSA-N
MW440.19 g/mol
LogP2.55
Rot. Bonds5

About [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite

[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite (PubChem CID 70844205) has the molecular formula C12H10FIN2O5S and a molecular weight of 440.19 g/mol. Its IUPAC name is [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite
PubChem CID70844205
Molecular FormulaC12H10FIN2O5S
Molecular Weight440.19 g/mol
Exact Mass439.93
IUPAC Name[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite
SMILESCOc1c(OI)ncnc1Oc1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C12H10FIN2O5S/c1-19-10-11(15-6-16-12(10)21-14)20-9-4-3-7(5-8(9)13)22(2,17)18/h3-6H,1-2H3
InChIKeyHYJTXRCXSZYQRS-UHFFFAOYSA-N
XLogP2.55
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite?
The IUPAC name of [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite (CID 70844205) is [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite.
What is the SMILES notation for [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite?
The canonical SMILES for [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite is COc1c(OI)ncnc1Oc1ccc(S(C)(=O)=O)cc1F.
What is the InChIKey of [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite?
The InChIKey is HYJTXRCXSZYQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN2O5S/c1-19-10-11(15-6-16-12(10)21-14)20-9-4-3-7(5-8(9)13)22(2,17)18/h3-6H,1-2H3.
What are the key properties of [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite?
[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite has a molecular weight of 440.19 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxypyrimidin-4-yl] hypoiodite is sourced from PubChem (CID 70844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).