7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde

C9H4FIOS — CID 131098249

IUPAC7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2cc(I)cc(F)c2s1
InChIInChI=1S/C9H4FIOS/c10-8-3-6(11)1-5-2-7(4-12)13-9(5)8/h1-4H
InChIKeyIDQPMGODJVODEV-UHFFFAOYSA-N
MW306.10 g/mol
LogP3.46
Rot. Bonds1

About 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde

7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde (PubChem CID 131098249) has the molecular formula C9H4FIOS and a molecular weight of 306.10 g/mol. Its IUPAC name is 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde
PubChem CID131098249
Molecular FormulaC9H4FIOS
Molecular Weight306.10 g/mol
Exact Mass305.90
IUPAC Name7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2cc(I)cc(F)c2s1
InChIInChI=1S/C9H4FIOS/c10-8-3-6(11)1-5-2-7(4-12)13-9(5)8/h1-4H
InChIKeyIDQPMGODJVODEV-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde (CID 131098249) is 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde is O=Cc1cc2cc(I)cc(F)c2s1.
What is the InChIKey of 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde?
The InChIKey is IDQPMGODJVODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FIOS/c10-8-3-6(11)1-5-2-7(4-12)13-9(5)8/h1-4H.
What are the key properties of 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde?
7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde has a molecular weight of 306.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-iodo-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 131098249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).