4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine

C17H10F2INO — CID 174271729

IUPAC4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine
SMILESFc1cccc(-c2cc(Oc3ccc(I)c(F)c3)ccn2)c1
InChIInChI=1S/C17H10F2INO/c18-12-3-1-2-11(8-12)17-10-14(6-7-21-17)22-13-4-5-16(20)15(19)9-13/h1-10H
InChIKeyAOUAVKDAUFQLCV-UHFFFAOYSA-N
MW409.17 g/mol
LogP5.42
Rot. Bonds3

About 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine

4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine (PubChem CID 174271729) has the molecular formula C17H10F2INO and a molecular weight of 409.17 g/mol. Its IUPAC name is 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine
PubChem CID174271729
Molecular FormulaC17H10F2INO
Molecular Weight409.17 g/mol
Exact Mass408.98
IUPAC Name4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine
SMILESFc1cccc(-c2cc(Oc3ccc(I)c(F)c3)ccn2)c1
InChIInChI=1S/C17H10F2INO/c18-12-3-1-2-11(8-12)17-10-14(6-7-21-17)22-13-4-5-16(20)15(19)9-13/h1-10H
InChIKeyAOUAVKDAUFQLCV-UHFFFAOYSA-N
XLogP5.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine?
The IUPAC name of 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine (CID 174271729) is 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine.
What is the SMILES notation for 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine?
The canonical SMILES for 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine is Fc1cccc(-c2cc(Oc3ccc(I)c(F)c3)ccn2)c1.
What is the InChIKey of 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine?
The InChIKey is AOUAVKDAUFQLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2INO/c18-12-3-1-2-11(8-12)17-10-14(6-7-21-17)22-13-4-5-16(20)15(19)9-13/h1-10H.
What are the key properties of 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine?
4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine has a molecular weight of 409.17 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-iodophenoxy)-2-(3-fluorophenyl)pyridine is sourced from PubChem (CID 174271729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).