2,5-diiodoquinolin-8-ol

C9H5I2NO — CID 54548864

IUPAC2,5-diiodoquinolin-8-ol
SMILESOc1ccc(I)c2ccc(I)nc12
InChIInChI=1S/C9H5I2NO/c10-6-2-3-7(13)9-5(6)1-4-8(11)12-9/h1-4,13H
InChIKeyZIMPZEBXIYQLKY-UHFFFAOYSA-N
MW396.95 g/mol
LogP3.15
Rot. Bonds

About 2,5-diiodoquinolin-8-ol

2,5-diiodoquinolin-8-ol (PubChem CID 54548864) has the molecular formula C9H5I2NO and a molecular weight of 396.95 g/mol. Its IUPAC name is 2,5-diiodoquinolin-8-ol.

Molecular Properties

Compound Name2,5-diiodoquinolin-8-ol
PubChem CID54548864
Molecular FormulaC9H5I2NO
Molecular Weight396.95 g/mol
Exact Mass396.85
IUPAC Name2,5-diiodoquinolin-8-ol
SMILESOc1ccc(I)c2ccc(I)nc12
InChIInChI=1S/C9H5I2NO/c10-6-2-3-7(13)9-5(6)1-4-8(11)12-9/h1-4,13H
InChIKeyZIMPZEBXIYQLKY-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.95
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,5-diiodoquinolin-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-6-iodopyridin-3-ol
CID 118803764
2-ethyl-3,6-diiodopyridine
CID 165475351
2,5-dibromoquinolin-8-ol
CID 10881208
8-bromo-2-chloro-5-iodoquinoline
CID 130499521
5-tert-butyl-2-methylquinolin-8-ol
CID 59538406
5-iodo-2-methoxyquinolin-8-amine
CID 86241505
3-ethoxy-2,4-diiodophenol
CID 118990980
5-chloro-8-hydroxyquinoline-2-carboxylic acid
CID 22044547
2-(5-iodo-2-methylquinolin-8-yl)oxyacetonitrile
CID 71320006
2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde
CID 87246653
7-iodo-2-methylquinolin-5-ol
CID 135553020
2,4-dibromoquinazolin-8-ol
CID 175262476

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodoquinolin-8-ol?
The IUPAC name of 2,5-diiodoquinolin-8-ol (CID 54548864) is 2,5-diiodoquinolin-8-ol.
What is the SMILES notation for 2,5-diiodoquinolin-8-ol?
The canonical SMILES for 2,5-diiodoquinolin-8-ol is Oc1ccc(I)c2ccc(I)nc12.
What is the InChIKey of 2,5-diiodoquinolin-8-ol?
The InChIKey is ZIMPZEBXIYQLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5I2NO/c10-6-2-3-7(13)9-5(6)1-4-8(11)12-9/h1-4,13H.
What are the key properties of 2,5-diiodoquinolin-8-ol?
2,5-diiodoquinolin-8-ol has a molecular weight of 396.95 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodoquinolin-8-ol is sourced from PubChem (CID 54548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).