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

C11H10FIN2O2 — CID 126579646

IUPAC3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2CF)n1
InChIInChI=1S/C11H10FIN2O2/c12-6-8-2-1-3-10(13)9(8)7-17-11-4-5-15(16)14-11/h1-5,16H,6-7H2
InChIKeyKYKWCJHEPVOOOA-UHFFFAOYSA-N
MW348.12 g/mol
LogP2.77
Rot. Bonds4

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

3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole (PubChem CID 126579646) has the molecular formula C11H10FIN2O2 and a molecular weight of 348.12 g/mol. Its IUPAC name is 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole.

Molecular Properties

Compound Name3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole
PubChem CID126579646
Molecular FormulaC11H10FIN2O2
Molecular Weight348.12 g/mol
Exact Mass347.98
IUPAC Name3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole
SMILESOn1ccc(OCc2c(I)cccc2CF)n1
InChIInChI=1S/C11H10FIN2O2/c12-6-8-2-1-3-10(13)9(8)7-17-11-4-5-15(16)14-11/h1-5,16H,6-7H2
InChIKeyKYKWCJHEPVOOOA-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.77
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-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The IUPAC name of 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole (CID 126579646) is 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole.
What is the SMILES notation for 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The canonical SMILES for 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole is On1ccc(OCc2c(I)cccc2CF)n1.
What is the InChIKey of 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
The InChIKey is KYKWCJHEPVOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O2/c12-6-8-2-1-3-10(13)9(8)7-17-11-4-5-15(16)14-11/h1-5,16H,6-7H2.
What are the key properties of 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole?
3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole has a molecular weight of 348.12 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(fluoromethyl)-6-iodophenyl]methoxy]-1-hydroxypyrazole is sourced from PubChem (CID 126579646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).