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

C9H5ClO2S — CID 130926436

IUPAC7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2ccc(O)c(Cl)c2s1
InChIInChI=1S/C9H5ClO2S/c10-8-7(12)2-1-5-3-6(4-11)13-9(5)8/h1-4,12H
InChIKeyXOPBAUCYSOFXOY-UHFFFAOYSA-N
MW212.66 g/mol
LogP3.07
Rot. Bonds1

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

7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde (PubChem CID 130926436) has the molecular formula C9H5ClO2S and a molecular weight of 212.66 g/mol. Its IUPAC name is 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde
PubChem CID130926436
Molecular FormulaC9H5ClO2S
Molecular Weight212.66 g/mol
Exact Mass211.97
IUPAC Name7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2ccc(O)c(Cl)c2s1
InChIInChI=1S/C9H5ClO2S/c10-8-7(12)2-1-5-3-6(4-11)13-9(5)8/h1-4,12H
InChIKeyXOPBAUCYSOFXOY-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde (CID 130926436) is 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde is O=Cc1cc2ccc(O)c(Cl)c2s1.
What is the InChIKey of 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde?
The InChIKey is XOPBAUCYSOFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClO2S/c10-8-7(12)2-1-5-3-6(4-11)13-9(5)8/h1-4,12H.
What are the key properties of 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde?
7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde has a molecular weight of 212.66 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 130926436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).