5,8-diiodo-2-pyridin-2-ylquinoxaline

C13H7I2N3 — CID 10456893

IUPAC5,8-diiodo-2-pyridin-2-ylquinoxaline
SMILESIc1ccc(I)c2nc(-c3ccccn3)cnc12
InChIInChI=1S/C13H7I2N3/c14-8-4-5-9(15)13-12(8)17-7-11(18-13)10-3-1-2-6-16-10/h1-7H
InChIKeyIEEKCFFXTFYUCO-UHFFFAOYSA-N
MW459.03 g/mol
LogP3.90
Rot. Bonds1

About 5,8-diiodo-2-pyridin-2-ylquinoxaline

5,8-diiodo-2-pyridin-2-ylquinoxaline (PubChem CID 10456893) has the molecular formula C13H7I2N3 and a molecular weight of 459.03 g/mol. Its IUPAC name is 5,8-diiodo-2-pyridin-2-ylquinoxaline.

Molecular Properties

Compound Name5,8-diiodo-2-pyridin-2-ylquinoxaline
PubChem CID10456893
Molecular FormulaC13H7I2N3
Molecular Weight459.03 g/mol
Exact Mass458.87
IUPAC Name5,8-diiodo-2-pyridin-2-ylquinoxaline
SMILESIc1ccc(I)c2nc(-c3ccccn3)cnc12
InChIInChI=1S/C13H7I2N3/c14-8-4-5-9(15)13-12(8)17-7-11(18-13)10-3-1-2-6-16-10/h1-7H
InChIKeyIEEKCFFXTFYUCO-UHFFFAOYSA-N
XLogP3.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,8-diiodo-2-pyridin-4-ylquinoxaline
CID 11753926
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyrazin-2-yl-6-pyridin-2-ylpyrazine
CID 174709673

Frequently Asked Questions

What is the IUPAC name of 5,8-diiodo-2-pyridin-2-ylquinoxaline?
The IUPAC name of 5,8-diiodo-2-pyridin-2-ylquinoxaline (CID 10456893) is 5,8-diiodo-2-pyridin-2-ylquinoxaline.
What is the SMILES notation for 5,8-diiodo-2-pyridin-2-ylquinoxaline?
The canonical SMILES for 5,8-diiodo-2-pyridin-2-ylquinoxaline is Ic1ccc(I)c2nc(-c3ccccn3)cnc12.
What is the InChIKey of 5,8-diiodo-2-pyridin-2-ylquinoxaline?
The InChIKey is IEEKCFFXTFYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7I2N3/c14-8-4-5-9(15)13-12(8)17-7-11(18-13)10-3-1-2-6-16-10/h1-7H.
What are the key properties of 5,8-diiodo-2-pyridin-2-ylquinoxaline?
5,8-diiodo-2-pyridin-2-ylquinoxaline has a molecular weight of 459.03 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diiodo-2-pyridin-2-ylquinoxaline is sourced from PubChem (CID 10456893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).