5,8-diiodo-2-pyridin-4-ylquinoxaline

C13H7I2N3 — CID 11753926

IUPAC5,8-diiodo-2-pyridin-4-ylquinoxaline
SMILESIc1ccc(I)c2nc(-c3ccncc3)cnc12
InChIInChI=1S/C13H7I2N3/c14-9-1-2-10(15)13-12(9)17-7-11(18-13)8-3-5-16-6-4-8/h1-7H
InChIKeySPTAZHATUOZPSN-UHFFFAOYSA-N
MW459.03 g/mol
LogP3.90
Rot. Bonds1

About 5,8-diiodo-2-pyridin-4-ylquinoxaline

5,8-diiodo-2-pyridin-4-ylquinoxaline (PubChem CID 11753926) has the molecular formula C13H7I2N3 and a molecular weight of 459.03 g/mol. Its IUPAC name is 5,8-diiodo-2-pyridin-4-ylquinoxaline.

Molecular Properties

Compound Name5,8-diiodo-2-pyridin-4-ylquinoxaline
PubChem CID11753926
Molecular FormulaC13H7I2N3
Molecular Weight459.03 g/mol
Exact Mass458.87
IUPAC Name5,8-diiodo-2-pyridin-4-ylquinoxaline
SMILESIc1ccc(I)c2nc(-c3ccncc3)cnc12
InChIInChI=1S/C13H7I2N3/c14-9-1-2-10(15)13-12(9)17-7-11(18-13)8-3-5-16-6-4-8/h1-7H
InChIKeySPTAZHATUOZPSN-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-2-ylquinoxaline
CID 10456893
5-pyridin-4-yl-3H-imidazo[4,5-b]pyrazine
CID 123529033
2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline
CID 70909562
3-pyridin-4-yl-1,2,5-oxadiazole
CID 137332620
7-(2-fluoro-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105219
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 155765285
2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 149308070
gold;4-pyridin-4-ylpyridine
CID 159917709
5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
ethane;2-methyl-5-pyridin-4-ylpyrimidine
CID 144571989
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035

Frequently Asked Questions

What is the IUPAC name of 5,8-diiodo-2-pyridin-4-ylquinoxaline?
The IUPAC name of 5,8-diiodo-2-pyridin-4-ylquinoxaline (CID 11753926) is 5,8-diiodo-2-pyridin-4-ylquinoxaline.
What is the SMILES notation for 5,8-diiodo-2-pyridin-4-ylquinoxaline?
The canonical SMILES for 5,8-diiodo-2-pyridin-4-ylquinoxaline is Ic1ccc(I)c2nc(-c3ccncc3)cnc12.
What is the InChIKey of 5,8-diiodo-2-pyridin-4-ylquinoxaline?
The InChIKey is SPTAZHATUOZPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7I2N3/c14-9-1-2-10(15)13-12(9)17-7-11(18-13)8-3-5-16-6-4-8/h1-7H.
What are the key properties of 5,8-diiodo-2-pyridin-4-ylquinoxaline?
5,8-diiodo-2-pyridin-4-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-4-ylquinoxaline is sourced from PubChem (CID 11753926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).