2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine

C11H5BrF2INO — CID 146323064

IUPAC2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine
SMILESFc1ccc(Oc2ccc(I)nc2Br)c(F)c1
InChIInChI=1S/C11H5BrF2INO/c12-11-9(3-4-10(15)16-11)17-8-2-1-6(13)5-7(8)14/h1-5H
InChIKeyLUTYFRYTGDHNLB-UHFFFAOYSA-N
MW411.97 g/mol
LogP4.52
Rot. Bonds2

About 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine

2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine (PubChem CID 146323064) has the molecular formula C11H5BrF2INO and a molecular weight of 411.97 g/mol. Its IUPAC name is 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine.

Molecular Properties

Compound Name2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine
PubChem CID146323064
Molecular FormulaC11H5BrF2INO
Molecular Weight411.97 g/mol
Exact Mass410.86
IUPAC Name2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine
SMILESFc1ccc(Oc2ccc(I)nc2Br)c(F)c1
InChIInChI=1S/C11H5BrF2INO/c12-11-9(3-4-10(15)16-11)17-8-2-1-6(13)5-7(8)14/h1-5H
InChIKeyLUTYFRYTGDHNLB-UHFFFAOYSA-N
XLogP4.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.97
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine?
The IUPAC name of 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine (CID 146323064) is 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine.
What is the SMILES notation for 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine?
The canonical SMILES for 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine is Fc1ccc(Oc2ccc(I)nc2Br)c(F)c1.
What is the InChIKey of 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine?
The InChIKey is LUTYFRYTGDHNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2INO/c12-11-9(3-4-10(15)16-11)17-8-2-1-6(13)5-7(8)14/h1-5H.
What are the key properties of 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine?
2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine has a molecular weight of 411.97 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,4-difluorophenoxy)-6-iodopyridine is sourced from PubChem (CID 146323064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).