5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde

C11H6BrIO2 — CID 130499478

IUPAC5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(I)ccc2Br)o1
InChIInChI=1S/C11H6BrIO2/c12-10-3-1-7(13)5-9(10)11-4-2-8(6-14)15-11/h1-6H
InChIKeyTZLOYHLXKVEMKI-UHFFFAOYSA-N
MW376.98 g/mol
LogP4.13
Rot. Bonds2

About 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde

5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde (PubChem CID 130499478) has the molecular formula C11H6BrIO2 and a molecular weight of 376.98 g/mol. Its IUPAC name is 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
PubChem CID130499478
Molecular FormulaC11H6BrIO2
Molecular Weight376.98 g/mol
Exact Mass375.86
IUPAC Name5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(I)ccc2Br)o1
InChIInChI=1S/C11H6BrIO2/c12-10-3-1-7(13)5-9(10)11-4-2-8(6-14)15-11/h1-6H
InChIKeyTZLOYHLXKVEMKI-UHFFFAOYSA-N
XLogP4.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.98
LogP ≤ 54.13
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-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(5-acetyl-2-bromophenyl)furan-2-carbaldehyde
CID 169335903
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(4-bromo-2,1,3-benzothiadiazol-7-yl)furan-2-carbaldehyde
CID 138609335
5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
CID 106886524
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde (CID 130499478) is 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(I)ccc2Br)o1.
What is the InChIKey of 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde?
The InChIKey is TZLOYHLXKVEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrIO2/c12-10-3-1-7(13)5-9(10)11-4-2-8(6-14)15-11/h1-6H.
What are the key properties of 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde?
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde has a molecular weight of 376.98 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 130499478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).