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

C9H6INOS — CID 130956743

IUPAC7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
SMILESNc1c(I)cc(C=O)c2ccsc12
InChIInChI=1S/C9H6INOS/c10-7-3-5(4-12)6-1-2-13-9(6)8(7)11/h1-4H,11H2
InChIKeyHDGZFRCBHQGWCW-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.90
Rot. Bonds1

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

7-amino-6-iodo-1-benzothiophene-4-carbaldehyde (PubChem CID 130956743) has the molecular formula C9H6INOS and a molecular weight of 303.12 g/mol. Its IUPAC name is 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
PubChem CID130956743
Molecular FormulaC9H6INOS
Molecular Weight303.12 g/mol
Exact Mass302.92
IUPAC Name7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
SMILESNc1c(I)cc(C=O)c2ccsc12
InChIInChI=1S/C9H6INOS/c10-7-3-5(4-12)6-1-2-13-9(6)8(7)11/h1-4H,11H2
InChIKeyHDGZFRCBHQGWCW-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-difluoro-1-benzothiophene-4-carbaldehyde
CID 130961010
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
6-hydroxy-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 131124405
6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
CID 131000502
5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130788583
4,7-dibromo-1-benzothiophene-5-carbaldehyde
CID 130914405
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
4-amino-6-formyl-1-benzothiophene-5-carbonitrile
CID 131098337

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde (CID 130956743) is 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde is Nc1c(I)cc(C=O)c2ccsc12.
What is the InChIKey of 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde?
The InChIKey is HDGZFRCBHQGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INOS/c10-7-3-5(4-12)6-1-2-13-9(6)8(7)11/h1-4H,11H2.
What are the key properties of 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde?
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde has a molecular weight of 303.12 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-iodo-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 130956743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).