7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde

C9H4BrFOS — CID 88879328

IUPAC7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2c(F)ccc(Br)c2s1
InChIInChI=1S/C9H4BrFOS/c10-7-1-2-8(11)6-3-5(4-12)13-9(6)7/h1-4H
InChIKeyPKSLTDRHYQFGOD-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.62
Rot. Bonds1

About 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde

7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde (PubChem CID 88879328) has the molecular formula C9H4BrFOS and a molecular weight of 259.10 g/mol. Its IUPAC name is 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde
PubChem CID88879328
Molecular FormulaC9H4BrFOS
Molecular Weight259.10 g/mol
Exact Mass257.92
IUPAC Name7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2c(F)ccc(Br)c2s1
InChIInChI=1S/C9H4BrFOS/c10-7-1-2-8(11)6-3-5(4-12)13-9(6)7/h1-4H
InChIKeyPKSLTDRHYQFGOD-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde (CID 88879328) is 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde is O=Cc1cc2c(F)ccc(Br)c2s1.
What is the InChIKey of 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde?
The InChIKey is PKSLTDRHYQFGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFOS/c10-7-1-2-8(11)6-3-5(4-12)13-9(6)7/h1-4H.
What are the key properties of 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde?
7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde has a molecular weight of 259.10 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 88879328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).