2,3-diiodoquinolin-6-ol

C9H5I2NO — CID 174698607

IUPAC2,3-diiodoquinolin-6-ol
SMILESOc1ccc2nc(I)c(I)cc2c1
InChIInChI=1S/C9H5I2NO/c10-7-4-5-3-6(13)1-2-8(5)12-9(7)11/h1-4,13H
InChIKeyIBDFHPBMAJVTSV-UHFFFAOYSA-N
MW396.95 g/mol
LogP3.15
Rot. Bonds

About 2,3-diiodoquinolin-6-ol

2,3-diiodoquinolin-6-ol (PubChem CID 174698607) has the molecular formula C9H5I2NO and a molecular weight of 396.95 g/mol. Its IUPAC name is 2,3-diiodoquinolin-6-ol.

Molecular Properties

Compound Name2,3-diiodoquinolin-6-ol
PubChem CID174698607
Molecular FormulaC9H5I2NO
Molecular Weight396.95 g/mol
Exact Mass396.85
IUPAC Name2,3-diiodoquinolin-6-ol
SMILESOc1ccc2nc(I)c(I)cc2c1
InChIInChI=1S/C9H5I2NO/c10-7-4-5-3-6(13)1-2-8(5)12-9(7)11/h1-4,13H
InChIKeyIBDFHPBMAJVTSV-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diiodoquinolin-6-ol?
The IUPAC name of 2,3-diiodoquinolin-6-ol (CID 174698607) is 2,3-diiodoquinolin-6-ol.
What is the SMILES notation for 2,3-diiodoquinolin-6-ol?
The canonical SMILES for 2,3-diiodoquinolin-6-ol is Oc1ccc2nc(I)c(I)cc2c1.
What is the InChIKey of 2,3-diiodoquinolin-6-ol?
The InChIKey is IBDFHPBMAJVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5I2NO/c10-7-4-5-3-6(13)1-2-8(5)12-9(7)11/h1-4,13H.
What are the key properties of 2,3-diiodoquinolin-6-ol?
2,3-diiodoquinolin-6-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 2,3-diiodoquinolin-6-ol is sourced from PubChem (CID 174698607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).