2,4-diiodophenazin-1-ol

C12H6I2N2O — CID 137126055

IUPAC2,4-diiodophenazin-1-ol
SMILESOc1c(I)cc(I)c2nc3ccccc3nc12
InChIInChI=1S/C12H6I2N2O/c13-6-5-7(14)12(17)11-10(6)15-8-3-1-2-4-9(8)16-11/h1-5,17H
InChIKeySFKWCMVNVLVTDG-UHFFFAOYSA-N
MW448.00 g/mol
LogP3.70
Rot. Bonds

About 2,4-diiodophenazin-1-ol

2,4-diiodophenazin-1-ol (PubChem CID 137126055) has the molecular formula C12H6I2N2O and a molecular weight of 448.00 g/mol. Its IUPAC name is 2,4-diiodophenazin-1-ol.

Molecular Properties

Compound Name2,4-diiodophenazin-1-ol
PubChem CID137126055
Molecular FormulaC12H6I2N2O
Molecular Weight448.00 g/mol
Exact Mass447.86
IUPAC Name2,4-diiodophenazin-1-ol
SMILESOc1c(I)cc(I)c2nc3ccccc3nc12
InChIInChI=1S/C12H6I2N2O/c13-6-5-7(14)12(17)11-10(6)15-8-3-1-2-4-9(8)16-11/h1-5,17H
InChIKeySFKWCMVNVLVTDG-UHFFFAOYSA-N
XLogP3.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.00
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,4-diiodophenazin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodophenazin-1-ol?
The IUPAC name of 2,4-diiodophenazin-1-ol (CID 137126055) is 2,4-diiodophenazin-1-ol.
What is the SMILES notation for 2,4-diiodophenazin-1-ol?
The canonical SMILES for 2,4-diiodophenazin-1-ol is Oc1c(I)cc(I)c2nc3ccccc3nc12.
What is the InChIKey of 2,4-diiodophenazin-1-ol?
The InChIKey is SFKWCMVNVLVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6I2N2O/c13-6-5-7(14)12(17)11-10(6)15-8-3-1-2-4-9(8)16-11/h1-5,17H.
What are the key properties of 2,4-diiodophenazin-1-ol?
2,4-diiodophenazin-1-ol has a molecular weight of 448.00 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodophenazin-1-ol is sourced from PubChem (CID 137126055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).