3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole

C11H10FIN2O3 — CID 126576250

IUPAC3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2OCF)n1
InChIInChI=1S/C11H10FIN2O3/c12-7-18-10-3-1-2-9(13)8(10)6-17-11-4-5-15(16)14-11/h1-5,16H,6-7H2
InChIKeyITBVLSSRYYJBHZ-UHFFFAOYSA-N
MW364.11 g/mol
LogP2.61
Rot. Bonds5

About 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole

3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole (PubChem CID 126576250) has the molecular formula C11H10FIN2O3 and a molecular weight of 364.11 g/mol. Its IUPAC name is 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole.

Molecular Properties

Compound Name3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole
PubChem CID126576250
Molecular FormulaC11H10FIN2O3
Molecular Weight364.11 g/mol
Exact Mass363.97
IUPAC Name3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2OCF)n1
InChIInChI=1S/C11H10FIN2O3/c12-7-18-10-3-1-2-9(13)8(10)6-17-11-4-5-15(16)14-11/h1-5,16H,6-7H2
InChIKeyITBVLSSRYYJBHZ-UHFFFAOYSA-N
XLogP2.61
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The IUPAC name of 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole (CID 126576250) is 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole.
What is the SMILES notation for 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The canonical SMILES for 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole is On1ccc(OCc2c(I)cccc2OCF)n1.
What is the InChIKey of 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The InChIKey is ITBVLSSRYYJBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O3/c12-7-18-10-3-1-2-9(13)8(10)6-17-11-4-5-15(16)14-11/h1-5,16H,6-7H2.
What are the key properties of 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole has a molecular weight of 364.11 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(fluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole is sourced from PubChem (CID 126576250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).