2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine

C22H14Br2N2O2 — CID 123339427

IUPAC2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine
SMILESBrc1ccc(Oc2ccncc2)c(-c2cc(Oc3ccccn3)ccc2Br)c1
InChIInChI=1S/C22H14Br2N2O2/c23-15-4-7-21(27-16-8-11-25-12-9-16)19(13-15)18-14-17(5-6-20(18)24)28-22-3-1-2-10-26-22/h1-14H
InChIKeyJSACFMFWPHIFBW-UHFFFAOYSA-N
MW498.17 g/mol
LogP7.25
Rot. Bonds5

About 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine

2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine (PubChem CID 123339427) has the molecular formula C22H14Br2N2O2 and a molecular weight of 498.17 g/mol. Its IUPAC name is 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine
PubChem CID123339427
Molecular FormulaC22H14Br2N2O2
Molecular Weight498.17 g/mol
Exact Mass495.94
IUPAC Name2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine
SMILESBrc1ccc(Oc2ccncc2)c(-c2cc(Oc3ccccn3)ccc2Br)c1
InChIInChI=1S/C22H14Br2N2O2/c23-15-4-7-21(27-16-8-11-25-12-9-16)19(13-15)18-14-17(5-6-20(18)24)28-22-3-1-2-10-26-22/h1-14H
InChIKeyJSACFMFWPHIFBW-UHFFFAOYSA-N
XLogP7.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.17
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine?
The IUPAC name of 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine (CID 123339427) is 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine.
What is the SMILES notation for 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine?
The canonical SMILES for 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine is Brc1ccc(Oc2ccncc2)c(-c2cc(Oc3ccccn3)ccc2Br)c1.
What is the InChIKey of 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine?
The InChIKey is JSACFMFWPHIFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2O2/c23-15-4-7-21(27-16-8-11-25-12-9-16)19(13-15)18-14-17(5-6-20(18)24)28-22-3-1-2-10-26-22/h1-14H.
What are the key properties of 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine?
2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine has a molecular weight of 498.17 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(5-bromo-2-pyridin-4-yloxyphenyl)phenoxy]pyridine is sourced from PubChem (CID 123339427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).