5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde

C12H6Br2O3 — CID 169335894

IUPAC5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(Br)cc(Br)cc2C=O)o1
InChIInChI=1S/C12H6Br2O3/c13-8-3-7(5-15)12(10(14)4-8)11-2-1-9(6-16)17-11/h1-6H
InChIKeyIWZIKUGMNCKHBK-UHFFFAOYSA-N
MW357.99 g/mol
LogP4.10
Rot. Bonds3

About 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde

5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde (PubChem CID 169335894) has the molecular formula C12H6Br2O3 and a molecular weight of 357.99 g/mol. Its IUPAC name is 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde
PubChem CID169335894
Molecular FormulaC12H6Br2O3
Molecular Weight357.99 g/mol
Exact Mass355.87
IUPAC Name5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(Br)cc(Br)cc2C=O)o1
InChIInChI=1S/C12H6Br2O3/c13-8-3-7(5-15)12(10(14)4-8)11-2-1-9(6-16)17-11/h1-6H
InChIKeyIWZIKUGMNCKHBK-UHFFFAOYSA-N
XLogP4.10
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.99
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2-bromo-4-chloro-6-fluorophenyl)furan-2-carbaldehyde
CID 169331721
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
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-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde (CID 169335894) is 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2c(Br)cc(Br)cc2C=O)o1.
What is the InChIKey of 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde?
The InChIKey is IWZIKUGMNCKHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O3/c13-8-3-7(5-15)12(10(14)4-8)11-2-1-9(6-16)17-11/h1-6H.
What are the key properties of 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde?
5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde has a molecular weight of 357.99 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).