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

C10H7IO2S — CID 130913388

IUPAC6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1cc(I)c(C=O)c2sccc12
InChIInChI=1S/C10H7IO2S/c1-13-9-4-8(11)7(5-12)10-6(9)2-3-14-10/h2-5H,1H3
InChIKeyIVRORJDQURFFLX-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.33
Rot. Bonds2

About 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde

6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde (PubChem CID 130913388) has the molecular formula C10H7IO2S and a molecular weight of 318.14 g/mol. Its IUPAC name is 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
PubChem CID130913388
Molecular FormulaC10H7IO2S
Molecular Weight318.14 g/mol
Exact Mass317.92
IUPAC Name6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1cc(I)c(C=O)c2sccc12
InChIInChI=1S/C10H7IO2S/c1-13-9-4-8(11)7(5-12)10-6(9)2-3-14-10/h2-5H,1H3
InChIKeyIVRORJDQURFFLX-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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Related Compounds

5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809
6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
CID 131000502
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192
4,7-dimethoxy-1-benzothiophene
CID 11095506
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
6-hydroxy-3-methoxy-1-benzothiophene-7-carbaldehyde
CID 131145492
4-bromo-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 130839267
6-iodo-4-methylsulfanyl-1-benzothiophene-5-carbaldehyde
CID 130941137
5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
CID 130941216

Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde (CID 130913388) is 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde is COc1cc(I)c(C=O)c2sccc12.
What is the InChIKey of 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is IVRORJDQURFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO2S/c1-13-9-4-8(11)7(5-12)10-6(9)2-3-14-10/h2-5H,1H3.
What are the key properties of 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde?
6-iodo-4-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 6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130913388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).