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

C9H5IO2S — CID 130870877

IUPAC2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde
SMILESO=Cc1c(I)ccc2cc(O)sc12
InChIInChI=1S/C9H5IO2S/c10-7-2-1-5-3-8(12)13-9(5)6(7)4-11/h1-4,12H
InChIKeyFNITYPRRPGSIKP-UHFFFAOYSA-N
MW304.11 g/mol
LogP3.02
Rot. Bonds1

About 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde

2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde (PubChem CID 130870877) has the molecular formula C9H5IO2S and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde
PubChem CID130870877
Molecular FormulaC9H5IO2S
Molecular Weight304.11 g/mol
Exact Mass303.91
IUPAC Name2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde
SMILESO=Cc1c(I)ccc2cc(O)sc12
InChIInChI=1S/C9H5IO2S/c10-7-2-1-5-3-8(12)13-9(5)6(7)4-11/h1-4,12H
InChIKeyFNITYPRRPGSIKP-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde (CID 130870877) is 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde is O=Cc1c(I)ccc2cc(O)sc12.
What is the InChIKey of 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde?
The InChIKey is FNITYPRRPGSIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IO2S/c10-7-2-1-5-3-8(12)13-9(5)6(7)4-11/h1-4,12H.
What are the key properties of 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde?
2-hydroxy-6-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 2-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130870877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).