7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline

C9H4BrF2IN2O — CID 126507915

IUPAC7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline
SMILESFC(F)Oc1cnc2c(I)cc(Br)cc2n1
InChIInChI=1S/C9H4BrF2IN2O/c10-4-1-5(13)8-6(2-4)15-7(3-14-8)16-9(11)12/h1-3,9H
InChIKeyICJKWHUIPLKPBH-UHFFFAOYSA-N
MW400.95 g/mol
LogP3.60
Rot. Bonds2

About 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline

7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline (PubChem CID 126507915) has the molecular formula C9H4BrF2IN2O and a molecular weight of 400.95 g/mol. Its IUPAC name is 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline.

Molecular Properties

Compound Name7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline
PubChem CID126507915
Molecular FormulaC9H4BrF2IN2O
Molecular Weight400.95 g/mol
Exact Mass399.85
IUPAC Name7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline
SMILESFC(F)Oc1cnc2c(I)cc(Br)cc2n1
InChIInChI=1S/C9H4BrF2IN2O/c10-4-1-5(13)8-6(2-4)15-7(3-14-8)16-9(11)12/h1-3,9H
InChIKeyICJKWHUIPLKPBH-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline?
The IUPAC name of 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline (CID 126507915) is 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline.
What is the SMILES notation for 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline?
The canonical SMILES for 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline is FC(F)Oc1cnc2c(I)cc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline?
The InChIKey is ICJKWHUIPLKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2IN2O/c10-4-1-5(13)8-6(2-4)15-7(3-14-8)16-9(11)12/h1-3,9H.
What are the key properties of 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline?
7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline has a molecular weight of 400.95 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(difluoromethoxy)-5-iodoquinoxaline is sourced from PubChem (CID 126507915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).