5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine

C15H15BrINO — CID 124640267

IUPAC5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine
SMILESCCC[C@@H](Oc1ccc(I)cc1)c1ccc(Br)cn1
InChIInChI=1S/C15H15BrINO/c1-2-3-15(14-9-4-11(16)10-18-14)19-13-7-5-12(17)6-8-13/h4-10,15H,2-3H2,1H3/t15-/m1/s1
InChIKeyFCJOORNQRJMZPR-OAHLLOKOSA-N
MW432.10 g/mol
LogP5.37
Rot. Bonds5

About 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine

5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine (PubChem CID 124640267) has the molecular formula C15H15BrINO and a molecular weight of 432.10 g/mol. Its IUPAC name is 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine
PubChem CID124640267
Molecular FormulaC15H15BrINO
Molecular Weight432.10 g/mol
Exact Mass430.94
IUPAC Name5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine
SMILESCCC[C@@H](Oc1ccc(I)cc1)c1ccc(Br)cn1
InChIInChI=1S/C15H15BrINO/c1-2-3-15(14-9-4-11(16)10-18-14)19-13-7-5-12(17)6-8-13/h4-10,15H,2-3H2,1H3/t15-/m1/s1
InChIKeyFCJOORNQRJMZPR-OAHLLOKOSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.10
LogP ≤ 55.37
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 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine?
The IUPAC name of 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine (CID 124640267) is 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine?
The canonical SMILES for 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine is CCC[C@@H](Oc1ccc(I)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine?
The InChIKey is FCJOORNQRJMZPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15BrINO/c1-2-3-15(14-9-4-11(16)10-18-14)19-13-7-5-12(17)6-8-13/h4-10,15H,2-3H2,1H3/t15-/m1/s1.
What are the key properties of 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine?
5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine has a molecular weight of 432.10 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1R)-1-(4-iodophenoxy)butyl]pyridine is sourced from PubChem (CID 124640267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).