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

C11H9F2IN2O3 — CID 126579645

IUPAC3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2OC(F)F)n1
InChIInChI=1S/C11H9F2IN2O3/c12-11(13)19-9-3-1-2-8(14)7(9)6-18-10-4-5-16(17)15-10/h1-5,11,17H,6H2
InChIKeyRDVLJCXADAZASR-UHFFFAOYSA-N
MW382.10 g/mol
LogP2.91
Rot. Bonds5

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

3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole (PubChem CID 126579645) has the molecular formula C11H9F2IN2O3 and a molecular weight of 382.10 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole
PubChem CID126579645
Molecular FormulaC11H9F2IN2O3
Molecular Weight382.10 g/mol
Exact Mass381.96
IUPAC Name3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2OC(F)F)n1
InChIInChI=1S/C11H9F2IN2O3/c12-11(13)19-9-3-1-2-8(14)7(9)6-18-10-4-5-16(17)15-10/h1-5,11,17H,6H2
InChIKeyRDVLJCXADAZASR-UHFFFAOYSA-N
XLogP2.91
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 52.91
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-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The IUPAC name of 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole (CID 126579645) is 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole.
What is the SMILES notation for 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The canonical SMILES for 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole is On1ccc(OCc2c(I)cccc2OC(F)F)n1.
What is the InChIKey of 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The InChIKey is RDVLJCXADAZASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2IN2O3/c12-11(13)19-9-3-1-2-8(14)7(9)6-18-10-4-5-16(17)15-10/h1-5,11,17H,6H2.
What are the key properties of 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole has a molecular weight of 382.10 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)-6-iodophenyl]methoxy]-1-hydroxypyrazole is sourced from PubChem (CID 126579645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).