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

C11H9F2IN2O2 — CID 126579647

IUPAC3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2C(F)F)n1
InChIInChI=1S/C11H9F2IN2O2/c12-11(13)7-2-1-3-9(14)8(7)6-18-10-4-5-16(17)15-10/h1-5,11,17H,6H2
InChIKeyJCJBAPDJOMAYMM-UHFFFAOYSA-N
MW366.11 g/mol
LogP3.24
Rot. Bonds4

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

3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole (PubChem CID 126579647) has the molecular formula C11H9F2IN2O2 and a molecular weight of 366.11 g/mol. Its IUPAC name is 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole.

Molecular Properties

Compound Name3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole
PubChem CID126579647
Molecular FormulaC11H9F2IN2O2
Molecular Weight366.11 g/mol
Exact Mass365.97
IUPAC Name3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2C(F)F)n1
InChIInChI=1S/C11H9F2IN2O2/c12-11(13)7-2-1-3-9(14)8(7)6-18-10-4-5-16(17)15-10/h1-5,11,17H,6H2
InChIKeyJCJBAPDJOMAYMM-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The IUPAC name of 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole (CID 126579647) is 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole.
What is the SMILES notation for 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The canonical SMILES for 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole is On1ccc(OCc2c(I)cccc2C(F)F)n1.
What is the InChIKey of 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The InChIKey is JCJBAPDJOMAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2IN2O2/c12-11(13)7-2-1-3-9(14)8(7)6-18-10-4-5-16(17)15-10/h1-5,11,17H,6H2.
What are the key properties of 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole has a molecular weight of 366.11 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole is sourced from PubChem (CID 126579647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).