2-amino-7-iodo-1-benzothiophene-3-carbaldehyde

C9H6INOS — CID 130970896

IUPAC2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
SMILESNc1sc2c(I)cccc2c1C=O
InChIInChI=1S/C9H6INOS/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-4H,11H2
InChIKeyYIKVDFGCPRJGJA-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.90
Rot. Bonds1

About 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde

2-amino-7-iodo-1-benzothiophene-3-carbaldehyde (PubChem CID 130970896) has the molecular formula C9H6INOS and a molecular weight of 303.12 g/mol. Its IUPAC name is 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
PubChem CID130970896
Molecular FormulaC9H6INOS
Molecular Weight303.12 g/mol
Exact Mass302.92
IUPAC Name2-amino-7-iodo-1-benzothiophene-3-carbaldehyde
SMILESNc1sc2c(I)cccc2c1C=O
InChIInChI=1S/C9H6INOS/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-4H,11H2
InChIKeyYIKVDFGCPRJGJA-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'}

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Related Compounds

2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130885028
7-iodo-1-benzothiophene-2,3-diamine
CID 131001187
3-formyl-2-iodo-1-benzothiophene-7-carbonitrile
CID 130866004
2-amino-3-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130955844
7-iodo-1-benzothiophene-2,3-diol
CID 131215768
2,7-diiodo-3-methyl-1-benzothiophene
CID 130914423
2-chloro-6-iodobenzaldehyde
CID 58951891
3-amino-2-(chloromethyl)-1-benzothiophene-7-carbaldehyde
CID 130855027
2-fluoro-7-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130854629
2-(chloromethyl)-7-iodo-1-benzothiophene-3-thiol
CID 130988103
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
CID 130803900
2-aminopyrene-4,5,9,10-tetracarbaldehyde
CID 174701853

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde (CID 130970896) is 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde is Nc1sc2c(I)cccc2c1C=O.
What is the InChIKey of 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde?
The InChIKey is YIKVDFGCPRJGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INOS/c10-7-3-1-2-5-6(4-12)9(11)13-8(5)7/h1-4H,11H2.
What are the key properties of 2-amino-7-iodo-1-benzothiophene-3-carbaldehyde?
2-amino-7-iodo-1-benzothiophene-3-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-7-iodo-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 130970896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).