2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine

C13H10Br2ClNO2 — CID 83269021

IUPAC2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
SMILESCOc1cc(Br)c(Oc2cc(Cl)ncc2C)cc1Br
InChIInChI=1S/C13H10Br2ClNO2/c1-7-6-17-13(16)5-10(7)19-12-4-8(14)11(18-2)3-9(12)15/h3-6H,1-2H3
InChIKeyRFJQLZLSRAXDMD-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.37
Rot. Bonds3

About 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine

2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine (PubChem CID 83269021) has the molecular formula C13H10Br2ClNO2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
PubChem CID83269021
Molecular FormulaC13H10Br2ClNO2
Molecular Weight407.49 g/mol
Exact Mass404.88
IUPAC Name2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
SMILESCOc1cc(Br)c(Oc2cc(Cl)ncc2C)cc1Br
InChIInChI=1S/C13H10Br2ClNO2/c1-7-6-17-13(16)5-10(7)19-12-4-8(14)11(18-2)3-9(12)15/h3-6H,1-2H3
InChIKeyRFJQLZLSRAXDMD-UHFFFAOYSA-N
XLogP5.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.37
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-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine (CID 83269021) is 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine is COc1cc(Br)c(Oc2cc(Cl)ncc2C)cc1Br.
What is the InChIKey of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
The InChIKey is RFJQLZLSRAXDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO2/c1-7-6-17-13(16)5-10(7)19-12-4-8(14)11(18-2)3-9(12)15/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine?
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine has a molecular weight of 407.49 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine is sourced from PubChem (CID 83269021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).