4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine

C12H6BrCl2F2NO2 — CID 22712081

IUPAC4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine
SMILESCOc1ccc(Oc2c(Cl)c(F)nc(F)c2Cl)cc1Br
InChIInChI=1S/C12H6BrCl2F2NO2/c1-19-7-3-2-5(4-6(7)13)20-10-8(14)11(16)18-12(17)9(10)15/h2-4H,1H3
InChIKeyHHKIYMGOOIVSOX-UHFFFAOYSA-N
MW384.99 g/mol
LogP5.23
Rot. Bonds3

About 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine

4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine (PubChem CID 22712081) has the molecular formula C12H6BrCl2F2NO2 and a molecular weight of 384.99 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine
PubChem CID22712081
Molecular FormulaC12H6BrCl2F2NO2
Molecular Weight384.99 g/mol
Exact Mass382.89
IUPAC Name4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine
SMILESCOc1ccc(Oc2c(Cl)c(F)nc(F)c2Cl)cc1Br
InChIInChI=1S/C12H6BrCl2F2NO2/c1-19-7-3-2-5(4-6(7)13)20-10-8(14)11(16)18-12(17)9(10)15/h2-4H,1H3
InChIKeyHHKIYMGOOIVSOX-UHFFFAOYSA-N
XLogP5.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.99
LogP ≤ 55.23
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 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine?
The IUPAC name of 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine (CID 22712081) is 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine?
The canonical SMILES for 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine is COc1ccc(Oc2c(Cl)c(F)nc(F)c2Cl)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine?
The InChIKey is HHKIYMGOOIVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F2NO2/c1-19-7-3-2-5(4-6(7)13)20-10-8(14)11(16)18-12(17)9(10)15/h2-4H,1H3.
What are the key properties of 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine?
4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine has a molecular weight of 384.99 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenoxy)-3,5-dichloro-2,6-difluoropyridine is sourced from PubChem (CID 22712081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).