2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine

C28H28Br2N4O5 — CID 101410296

IUPAC2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine
SMILESBrc1cccc(-c2cccc(OCCOCCOCCOCCOc3cccc(-c4cccc(Br)n4)n3)n2)n1
InChIInChI=1S/C28H28Br2N4O5/c29-25-9-1-5-21(31-25)23-7-3-11-27(33-23)38-19-17-36-15-13-35-14-16-37-18-20-39-28-12-4-8-24(34-28)22-6-2-10-26(30)32-22/h1-12H,13-20H2
InChIKeyNQXXCJPECJZLQF-UHFFFAOYSA-N
MW660.36 g/mol
LogP5.63
Rot. Bonds16

About 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine

2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine (PubChem CID 101410296) has the molecular formula C28H28Br2N4O5 and a molecular weight of 660.36 g/mol. Its IUPAC name is 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine
PubChem CID101410296
Molecular FormulaC28H28Br2N4O5
Molecular Weight660.36 g/mol
Exact Mass658.04
IUPAC Name2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine
SMILESBrc1cccc(-c2cccc(OCCOCCOCCOCCOc3cccc(-c4cccc(Br)n4)n3)n2)n1
InChIInChI=1S/C28H28Br2N4O5/c29-25-9-1-5-21(31-25)23-7-3-11-27(33-23)38-19-17-36-15-13-35-14-16-37-18-20-39-28-12-4-8-24(34-28)22-6-2-10-26(30)32-22/h1-12H,13-20H2
InChIKeyNQXXCJPECJZLQF-UHFFFAOYSA-N
XLogP5.63
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.36
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine?
The IUPAC name of 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine (CID 101410296) is 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine?
The canonical SMILES for 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine is Brc1cccc(-c2cccc(OCCOCCOCCOCCOc3cccc(-c4cccc(Br)n4)n3)n2)n1.
What is the InChIKey of 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine?
The InChIKey is NQXXCJPECJZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Br2N4O5/c29-25-9-1-5-21(31-25)23-7-3-11-27(33-23)38-19-17-36-15-13-35-14-16-37-18-20-39-28-12-4-8-24(34-28)22-6-2-10-26(30)32-22/h1-12H,13-20H2.
What are the key properties of 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine?
2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine has a molecular weight of 660.36 g/mol, XLogP of 5.63, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine is sourced from PubChem (CID 101410296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).