2,4-dibromo-5-(4-methoxyphenoxy)pyridine

C12H9Br2NO2 — CID 155234507

IUPAC2,4-dibromo-5-(4-methoxyphenoxy)pyridine
SMILESCOc1ccc(Oc2cnc(Br)cc2Br)cc1
InChIInChI=1S/C12H9Br2NO2/c1-16-8-2-4-9(5-3-8)17-11-7-15-12(14)6-10(11)13/h2-7H,1H3
InChIKeyGCGWZXOGZUWFSY-UHFFFAOYSA-N
MW359.02 g/mol
LogP4.41
Rot. Bonds3

About 2,4-dibromo-5-(4-methoxyphenoxy)pyridine

2,4-dibromo-5-(4-methoxyphenoxy)pyridine (PubChem CID 155234507) has the molecular formula C12H9Br2NO2 and a molecular weight of 359.02 g/mol. Its IUPAC name is 2,4-dibromo-5-(4-methoxyphenoxy)pyridine.

Molecular Properties

Compound Name2,4-dibromo-5-(4-methoxyphenoxy)pyridine
PubChem CID155234507
Molecular FormulaC12H9Br2NO2
Molecular Weight359.02 g/mol
Exact Mass356.90
IUPAC Name2,4-dibromo-5-(4-methoxyphenoxy)pyridine
SMILESCOc1ccc(Oc2cnc(Br)cc2Br)cc1
InChIInChI=1S/C12H9Br2NO2/c1-16-8-2-4-9(5-3-8)17-11-7-15-12(14)6-10(11)13/h2-7H,1H3
InChIKeyGCGWZXOGZUWFSY-UHFFFAOYSA-N
XLogP4.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4-dibromo-5-(4-methoxyphenoxy)pyridine?
The IUPAC name of 2,4-dibromo-5-(4-methoxyphenoxy)pyridine (CID 155234507) is 2,4-dibromo-5-(4-methoxyphenoxy)pyridine.
What is the SMILES notation for 2,4-dibromo-5-(4-methoxyphenoxy)pyridine?
The canonical SMILES for 2,4-dibromo-5-(4-methoxyphenoxy)pyridine is COc1ccc(Oc2cnc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-5-(4-methoxyphenoxy)pyridine?
The InChIKey is GCGWZXOGZUWFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2/c1-16-8-2-4-9(5-3-8)17-11-7-15-12(14)6-10(11)13/h2-7H,1H3.
What are the key properties of 2,4-dibromo-5-(4-methoxyphenoxy)pyridine?
2,4-dibromo-5-(4-methoxyphenoxy)pyridine has a molecular weight of 359.02 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-(4-methoxyphenoxy)pyridine is sourced from PubChem (CID 155234507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).