5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde

C11H5BrI2O2 — CID 169333081

IUPAC5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(I)cc(Br)cc2I)o1
InChIInChI=1S/C11H5BrI2O2/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-5H
InChIKeyBQXRUVJGPUMHAG-UHFFFAOYSA-N
MW502.87 g/mol
LogP4.73
Rot. Bonds2

About 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde

5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde (PubChem CID 169333081) has the molecular formula C11H5BrI2O2 and a molecular weight of 502.87 g/mol. Its IUPAC name is 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
PubChem CID169333081
Molecular FormulaC11H5BrI2O2
Molecular Weight502.87 g/mol
Exact Mass501.76
IUPAC Name5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(I)cc(Br)cc2I)o1
InChIInChI=1S/C11H5BrI2O2/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-5H
InChIKeyBQXRUVJGPUMHAG-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.87
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde
CID 169335894
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
ethyl 4-(5-formylfuran-2-yl)-3,5-diiodobenzoate
CID 169333618
3-chloro-4-(5-formylfuran-2-yl)-5-iodobenzonitrile
CID 169332724
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-(2-bromo-4-chloro-6-fluorophenyl)furan-2-carbaldehyde
CID 169331721
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169332018
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde (CID 169333081) is 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2c(I)cc(Br)cc2I)o1.
What is the InChIKey of 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde?
The InChIKey is BQXRUVJGPUMHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrI2O2/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-5H.
What are the key properties of 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde?
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde has a molecular weight of 502.87 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).