6,8-diiodo-2,3-dimethylquinoxalin-5-ol

C10H8I2N2O — CID 137126069

IUPAC6,8-diiodo-2,3-dimethylquinoxalin-5-ol
SMILESCc1nc2c(I)cc(I)c(O)c2nc1C
InChIInChI=1S/C10H8I2N2O/c1-4-5(2)14-9-8(13-4)6(11)3-7(12)10(9)15/h3,15H,1-2H3
InChIKeyKMPDTHLYIGWBOX-UHFFFAOYSA-N
MW426.00 g/mol
LogP3.16
Rot. Bonds

About 6,8-diiodo-2,3-dimethylquinoxalin-5-ol

6,8-diiodo-2,3-dimethylquinoxalin-5-ol (PubChem CID 137126069) has the molecular formula C10H8I2N2O and a molecular weight of 426.00 g/mol. Its IUPAC name is 6,8-diiodo-2,3-dimethylquinoxalin-5-ol.

Molecular Properties

Compound Name6,8-diiodo-2,3-dimethylquinoxalin-5-ol
PubChem CID137126069
Molecular FormulaC10H8I2N2O
Molecular Weight426.00 g/mol
Exact Mass425.87
IUPAC Name6,8-diiodo-2,3-dimethylquinoxalin-5-ol
SMILESCc1nc2c(I)cc(I)c(O)c2nc1C
InChIInChI=1S/C10H8I2N2O/c1-4-5(2)14-9-8(13-4)6(11)3-7(12)10(9)15/h3,15H,1-2H3
InChIKeyKMPDTHLYIGWBOX-UHFFFAOYSA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 53.16
H-Bond Donors ≤ 51
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 6,8-diiodo-2,3-dimethylquinoxalin-5-ol?
The IUPAC name of 6,8-diiodo-2,3-dimethylquinoxalin-5-ol (CID 137126069) is 6,8-diiodo-2,3-dimethylquinoxalin-5-ol.
What is the SMILES notation for 6,8-diiodo-2,3-dimethylquinoxalin-5-ol?
The canonical SMILES for 6,8-diiodo-2,3-dimethylquinoxalin-5-ol is Cc1nc2c(I)cc(I)c(O)c2nc1C.
What is the InChIKey of 6,8-diiodo-2,3-dimethylquinoxalin-5-ol?
The InChIKey is KMPDTHLYIGWBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8I2N2O/c1-4-5(2)14-9-8(13-4)6(11)3-7(12)10(9)15/h3,15H,1-2H3.
What are the key properties of 6,8-diiodo-2,3-dimethylquinoxalin-5-ol?
6,8-diiodo-2,3-dimethylquinoxalin-5-ol has a molecular weight of 426.00 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diiodo-2,3-dimethylquinoxalin-5-ol is sourced from PubChem (CID 137126069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).