2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine

C20H26Br2N2O3 — CID 91088394

IUPAC2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine
SMILESCC(C)(CCOc1ccc(Br)nc1)OCCC(C)(C)Oc1ccc(Br)nc1
InChIInChI=1S/C20H26Br2N2O3/c1-19(2,9-11-25-15-5-7-17(21)23-13-15)26-12-10-20(3,4)27-16-6-8-18(22)24-14-16/h5-8,13-14H,9-12H2,1-4H3
InChIKeyWWHMCOVHGSGJHE-UHFFFAOYSA-N
MW502.25 g/mol
LogP5.81
Rot. Bonds10

About 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine

2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine (PubChem CID 91088394) has the molecular formula C20H26Br2N2O3 and a molecular weight of 502.25 g/mol. Its IUPAC name is 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine.

Molecular Properties

Compound Name2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine
PubChem CID91088394
Molecular FormulaC20H26Br2N2O3
Molecular Weight502.25 g/mol
Exact Mass500.03
IUPAC Name2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine
SMILESCC(C)(CCOc1ccc(Br)nc1)OCCC(C)(C)Oc1ccc(Br)nc1
InChIInChI=1S/C20H26Br2N2O3/c1-19(2,9-11-25-15-5-7-17(21)23-13-15)26-12-10-20(3,4)27-16-6-8-18(22)24-14-16/h5-8,13-14H,9-12H2,1-4H3
InChIKeyWWHMCOVHGSGJHE-UHFFFAOYSA-N
XLogP5.81
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.25
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine?
The IUPAC name of 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine (CID 91088394) is 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine.
What is the SMILES notation for 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine?
The canonical SMILES for 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine is CC(C)(CCOc1ccc(Br)nc1)OCCC(C)(C)Oc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine?
The InChIKey is WWHMCOVHGSGJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Br2N2O3/c1-19(2,9-11-25-15-5-7-17(21)23-13-15)26-12-10-20(3,4)27-16-6-8-18(22)24-14-16/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine?
2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine has a molecular weight of 502.25 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine is sourced from PubChem (CID 91088394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).