bis(5-carboxyfuran-2-yl)iodanium

C10H6IO6+ — CID 139729150

IUPACbis(5-carboxyfuran-2-yl)iodanium
SMILESO=C(O)c1ccc([I+]c2ccc(C(=O)O)o2)o1
InChIInChI=1S/C10H5IO6/c12-9(13)5-1-3-7(16-5)11-8-4-2-6(17-8)10(14)15/h1-4H,(H-,12,13,14,15)/p+1
InChIKeyIXVIXWLIRQRSOM-UHFFFAOYSA-O
MW349.06 g/mol
LogP-1.60
Rot. Bonds4

About bis(5-carboxyfuran-2-yl)iodanium

bis(5-carboxyfuran-2-yl)iodanium (PubChem CID 139729150) has the molecular formula C10H6IO6+ and a molecular weight of 349.06 g/mol. Its IUPAC name is bis(5-carboxyfuran-2-yl)iodanium.

Molecular Properties

Compound Namebis(5-carboxyfuran-2-yl)iodanium
PubChem CID139729150
Molecular FormulaC10H6IO6+
Molecular Weight349.06 g/mol
Exact Mass348.92
IUPAC Namebis(5-carboxyfuran-2-yl)iodanium
SMILESO=C(O)c1ccc([I+]c2ccc(C(=O)O)o2)o1
InChIInChI=1S/C10H5IO6/c12-9(13)5-1-3-7(16-5)11-8-4-2-6(17-8)10(14)15/h1-4H,(H-,12,13,14,15)/p+1
InChIKeyIXVIXWLIRQRSOM-UHFFFAOYSA-O
XLogP-1.60
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.06
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
CID 79351175
5-carboxyfuran-2-olate
CID 145013315

Frequently Asked Questions

What is the IUPAC name of bis(5-carboxyfuran-2-yl)iodanium?
The IUPAC name of bis(5-carboxyfuran-2-yl)iodanium (CID 139729150) is bis(5-carboxyfuran-2-yl)iodanium.
What is the SMILES notation for bis(5-carboxyfuran-2-yl)iodanium?
The canonical SMILES for bis(5-carboxyfuran-2-yl)iodanium is O=C(O)c1ccc([I+]c2ccc(C(=O)O)o2)o1.
What is the InChIKey of bis(5-carboxyfuran-2-yl)iodanium?
The InChIKey is IXVIXWLIRQRSOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H5IO6/c12-9(13)5-1-3-7(16-5)11-8-4-2-6(17-8)10(14)15/h1-4H,(H-,12,13,14,15)/p+1.
What are the key properties of bis(5-carboxyfuran-2-yl)iodanium?
bis(5-carboxyfuran-2-yl)iodanium has a molecular weight of 349.06 g/mol, XLogP of -1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-carboxyfuran-2-yl)iodanium is sourced from PubChem (CID 139729150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).