2,6-dibromo-3-iodoquinoline

C9H4Br2IN — CID 168869805

IUPAC2,6-dibromo-3-iodoquinoline
SMILESBrc1ccc2nc(Br)c(I)cc2c1
InChIInChI=1S/C9H4Br2IN/c10-6-1-2-8-5(3-6)4-7(12)9(11)13-8/h1-4H
InChIKeyLFJNQXIGRIBWGO-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.36
Rot. Bonds

About 2,6-dibromo-3-iodoquinoline

2,6-dibromo-3-iodoquinoline (PubChem CID 168869805) has the molecular formula C9H4Br2IN and a molecular weight of 412.85 g/mol. Its IUPAC name is 2,6-dibromo-3-iodoquinoline.

Molecular Properties

Compound Name2,6-dibromo-3-iodoquinoline
PubChem CID168869805
Molecular FormulaC9H4Br2IN
Molecular Weight412.85 g/mol
Exact Mass410.78
IUPAC Name2,6-dibromo-3-iodoquinoline
SMILESBrc1ccc2nc(Br)c(I)cc2c1
InChIInChI=1S/C9H4Br2IN/c10-6-1-2-8-5(3-6)4-7(12)9(11)13-8/h1-4H
InChIKeyLFJNQXIGRIBWGO-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dibromo-3-iodoquinoline 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 2,6-dibromo-3-iodoquinoline?
The IUPAC name of 2,6-dibromo-3-iodoquinoline (CID 168869805) is 2,6-dibromo-3-iodoquinoline.
What is the SMILES notation for 2,6-dibromo-3-iodoquinoline?
The canonical SMILES for 2,6-dibromo-3-iodoquinoline is Brc1ccc2nc(Br)c(I)cc2c1.
What is the InChIKey of 2,6-dibromo-3-iodoquinoline?
The InChIKey is LFJNQXIGRIBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2IN/c10-6-1-2-8-5(3-6)4-7(12)9(11)13-8/h1-4H.
What are the key properties of 2,6-dibromo-3-iodoquinoline?
2,6-dibromo-3-iodoquinoline has a molecular weight of 412.85 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-iodoquinoline is sourced from PubChem (CID 168869805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).