5-(4-bromothiophen-3-yl)furan-2-carbaldehyde

C9H5BrO2S — CID 106886524

IUPAC5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cscc2Br)o1
InChIInChI=1S/C9H5BrO2S/c10-8-5-13-4-7(8)9-2-1-6(3-11)12-9/h1-5H
InChIKeyLKPQJUMDZNMKIS-UHFFFAOYSA-N
MW257.11 g/mol
LogP3.58
Rot. Bonds2

About 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde

5-(4-bromothiophen-3-yl)furan-2-carbaldehyde (PubChem CID 106886524) has the molecular formula C9H5BrO2S and a molecular weight of 257.11 g/mol. Its IUPAC name is 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
PubChem CID106886524
Molecular FormulaC9H5BrO2S
Molecular Weight257.11 g/mol
Exact Mass255.92
IUPAC Name5-(4-bromothiophen-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cscc2Br)o1
InChIInChI=1S/C9H5BrO2S/c10-8-5-13-4-7(8)9-2-1-6(3-11)12-9/h1-5H
InChIKeyLKPQJUMDZNMKIS-UHFFFAOYSA-N
XLogP3.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
5-(4-bromo-2,1,3-benzothiadiazol-7-yl)furan-2-carbaldehyde
CID 138609335
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
[5-(4-bromothiophen-3-yl)furan-2-yl]methanamine
CID 106887480
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde (CID 106886524) is 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cscc2Br)o1.
What is the InChIKey of 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde?
The InChIKey is LKPQJUMDZNMKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO2S/c10-8-5-13-4-7(8)9-2-1-6(3-11)12-9/h1-5H.
What are the key properties of 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde?
5-(4-bromothiophen-3-yl)furan-2-carbaldehyde has a molecular weight of 257.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-3-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106886524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).