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

C9H5IO2S — CID 131000502

IUPAC6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
SMILESO=Cc1c(O)cc(I)c2ccsc12
InChIInChI=1S/C9H5IO2S/c10-7-3-8(12)6(4-11)9-5(7)1-2-13-9/h1-4,12H
InChIKeyFAGBIONWXSDLDB-UHFFFAOYSA-N
MW304.11 g/mol
LogP3.02
Rot. Bonds1

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

6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde (PubChem CID 131000502) has the molecular formula C9H5IO2S and a molecular weight of 304.11 g/mol. Its IUPAC name is 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
PubChem CID131000502
Molecular FormulaC9H5IO2S
Molecular Weight304.11 g/mol
Exact Mass303.91
IUPAC Name6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
SMILESO=Cc1c(O)cc(I)c2ccsc12
InChIInChI=1S/C9H5IO2S/c10-7-3-8(12)6(4-11)9-5(7)1-2-13-9/h1-4,12H
InChIKeyFAGBIONWXSDLDB-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130866354
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
5-(chloromethyl)-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130898631
7-hydroxy-4-iodo-1-benzothiophene-6-carboxylic acid
CID 130821614
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130792151
4,6-diiodo-1-benzothiophene-7-thiol
CID 130969520
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
6-hydroxy-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 131124405
4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde
CID 134929295

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde (CID 131000502) is 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde is O=Cc1c(O)cc(I)c2ccsc12.
What is the InChIKey of 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde?
The InChIKey is FAGBIONWXSDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IO2S/c10-7-3-8(12)6(4-11)9-5(7)1-2-13-9/h1-4,12H.
What are the key properties of 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde?
6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde has a molecular weight of 304.11 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 131000502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).