3-bromo-2-iodofuran

C4H2BrIO — CID 12521510

IUPAC3-bromo-2-iodofuran
SMILESBrc1ccoc1I
InChIInChI=1S/C4H2BrIO/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyHTSODYWNVCMVCF-UHFFFAOYSA-N
MW272.87 g/mol
LogP2.65
Rot. Bonds

About 3-bromo-2-iodofuran

3-bromo-2-iodofuran (PubChem CID 12521510) has the molecular formula C4H2BrIO and a molecular weight of 272.87 g/mol. Its IUPAC name is 3-bromo-2-iodofuran.

Molecular Properties

Compound Name3-bromo-2-iodofuran
PubChem CID12521510
Molecular FormulaC4H2BrIO
Molecular Weight272.87 g/mol
Exact Mass271.83
IUPAC Name3-bromo-2-iodofuran
SMILESBrc1ccoc1I
InChIInChI=1S/C4H2BrIO/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyHTSODYWNVCMVCF-UHFFFAOYSA-N
XLogP2.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.87
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-iodofuran 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 3-bromo-2-iodofuran?
The IUPAC name of 3-bromo-2-iodofuran (CID 12521510) is 3-bromo-2-iodofuran.
What is the SMILES notation for 3-bromo-2-iodofuran?
The canonical SMILES for 3-bromo-2-iodofuran is Brc1ccoc1I.
What is the InChIKey of 3-bromo-2-iodofuran?
The InChIKey is HTSODYWNVCMVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIO/c5-3-1-2-7-4(3)6/h1-2H.
What are the key properties of 3-bromo-2-iodofuran?
3-bromo-2-iodofuran has a molecular weight of 272.87 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-iodofuran is sourced from PubChem (CID 12521510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).