2-amino-4-iodo-1-benzothiophene-5-carbaldehyde

C9H6INOS — CID 130985270

IUPAC2-amino-4-iodo-1-benzothiophene-5-carbaldehyde
SMILESNc1cc2c(I)c(C=O)ccc2s1
InChIInChI=1S/C9H6INOS/c10-9-5(4-12)1-2-7-6(9)3-8(11)13-7/h1-4H,11H2
InChIKeyOOXFGCHYRVVPAL-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.90
Rot. Bonds1

About 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde

2-amino-4-iodo-1-benzothiophene-5-carbaldehyde (PubChem CID 130985270) has the molecular formula C9H6INOS and a molecular weight of 303.12 g/mol. Its IUPAC name is 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-iodo-1-benzothiophene-5-carbaldehyde
PubChem CID130985270
Molecular FormulaC9H6INOS
Molecular Weight303.12 g/mol
Exact Mass302.92
IUPAC Name2-amino-4-iodo-1-benzothiophene-5-carbaldehyde
SMILESNc1cc2c(I)c(C=O)ccc2s1
InChIInChI=1S/C9H6INOS/c10-9-5(4-12)1-2-7-6(9)3-8(11)13-7/h1-4H,11H2
InChIKeyOOXFGCHYRVVPAL-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': 'iodine', 'substructure': 'N/A'}

Analyze 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
4-(bromomethyl)-2-iodo-1-benzothiophene-5-carbaldehyde
CID 130971650
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
5-aminothieno[2,3-b]thiophene-3-carbaldehyde
CID 133057843
2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
CID 131218553
4-hydroxy-2-sulfanyl-1-benzothiophene-5-carbaldehyde
CID 131057233
2-amino-5-chloro-1-benzothiophen-4-ol
CID 130956293
2-fluoro-3-iodoterephthalaldehyde
CID 171013369
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
5-amino-6-iodo-1-benzothiophene-3-carbaldehyde
CID 130816591
2-amino-5-(bromomethyl)-1-benzothiophene-4-thiol
CID 131138226

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde (CID 130985270) is 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde is Nc1cc2c(I)c(C=O)ccc2s1.
What is the InChIKey of 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde?
The InChIKey is OOXFGCHYRVVPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INOS/c10-9-5(4-12)1-2-7-6(9)3-8(11)13-7/h1-4H,11H2.
What are the key properties of 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde?
2-amino-4-iodo-1-benzothiophene-5-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 2-amino-4-iodo-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 130985270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).