4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde

C10H7IO2S — CID 130898847

IUPAC4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1cc2c(I)ccc(C=O)c2s1
InChIInChI=1S/C10H7IO2S/c1-13-9-4-7-8(11)3-2-6(5-12)10(7)14-9/h2-5H,1H3
InChIKeyAZLNPUQXJIJIRW-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.33
Rot. Bonds2

About 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde

4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde (PubChem CID 130898847) has the molecular formula C10H7IO2S and a molecular weight of 318.14 g/mol. Its IUPAC name is 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde
PubChem CID130898847
Molecular FormulaC10H7IO2S
Molecular Weight318.14 g/mol
Exact Mass317.92
IUPAC Name4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1cc2c(I)ccc(C=O)c2s1
InChIInChI=1S/C10H7IO2S/c1-13-9-4-7-8(11)3-2-6(5-12)10(7)14-9/h2-5H,1H3
InChIKeyAZLNPUQXJIJIRW-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde (CID 130898847) is 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde is COc1cc2c(I)ccc(C=O)c2s1.
What is the InChIKey of 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is AZLNPUQXJIJIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO2S/c1-13-9-4-7-8(11)3-2-6(5-12)10(7)14-9/h2-5H,1H3.
What are the key properties of 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde?
4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde has a molecular weight of 318.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130898847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).