5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde

C11H5BrCl2O2 — CID 91674669

IUPAC5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)c(Br)cc2Cl)o1
InChIInChI=1S/C11H5BrCl2O2/c12-8-4-9(13)7(3-10(8)14)11-2-1-6(5-15)16-11/h1-5H
InChIKeySUPJFTGJLXTKOX-UHFFFAOYSA-N
MW319.97 g/mol
LogP4.83
Rot. Bonds2

About 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde

5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde (PubChem CID 91674669) has the molecular formula C11H5BrCl2O2 and a molecular weight of 319.97 g/mol. Its IUPAC name is 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
PubChem CID91674669
Molecular FormulaC11H5BrCl2O2
Molecular Weight319.97 g/mol
Exact Mass317.88
IUPAC Name5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)c(Br)cc2Cl)o1
InChIInChI=1S/C11H5BrCl2O2/c12-8-4-9(13)7(3-10(8)14)11-2-1-6(5-15)16-11/h1-5H
InChIKeySUPJFTGJLXTKOX-UHFFFAOYSA-N
XLogP4.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.97
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(2,3,4-trichlorophenyl)furan-2-carbaldehyde
CID 169332109
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-bromo-5-iodophenyl)furan-2-carbaldehyde
CID 130499478
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
4-chloro-3-(5-formylfuran-2-yl)benzonitrile
CID 99965456
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-(2-bromo-4-chloro-6-fluorophenyl)furan-2-carbaldehyde
CID 169331721
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde (CID 91674669) is 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(Cl)c(Br)cc2Cl)o1.
What is the InChIKey of 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde?
The InChIKey is SUPJFTGJLXTKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2O2/c12-8-4-9(13)7(3-10(8)14)11-2-1-6(5-15)16-11/h1-5H.
What are the key properties of 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde?
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde has a molecular weight of 319.97 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 91674669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).