5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde

C9H5ClO2S — CID 130866354

IUPAC5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde
SMILESO=Cc1c(Cl)cc(O)c2sccc12
InChIInChI=1S/C9H5ClO2S/c10-7-3-8(12)9-5(1-2-13-9)6(7)4-11/h1-4,12H
InChIKeyBKVNXXUTUQMPFI-UHFFFAOYSA-N
MW212.66 g/mol
LogP3.07
Rot. Bonds1

About 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde

5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde (PubChem CID 130866354) has the molecular formula C9H5ClO2S and a molecular weight of 212.66 g/mol. Its IUPAC name is 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde
PubChem CID130866354
Molecular FormulaC9H5ClO2S
Molecular Weight212.66 g/mol
Exact Mass211.97
IUPAC Name5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde
SMILESO=Cc1c(Cl)cc(O)c2sccc12
InChIInChI=1S/C9H5ClO2S/c10-7-3-8(12)9-5(1-2-13-9)6(7)4-11/h1-4,12H
InChIKeyBKVNXXUTUQMPFI-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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Related Compounds

5-(chloromethyl)-7-hydroxy-1-benzothiophene-4-carbaldehyde
CID 130898631
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130792151
4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
6-hydroxy-4-iodo-1-benzothiophene-7-carbaldehyde
CID 131000502
2,3,4-trichloro-6-hydroxybenzaldehyde
CID 528388
5-chloro-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130956878
6-hydroxy-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 131124405
5-bromo-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 130839129
4-hydroxy-7,8-dihydro-6H-cyclopenta[e][1]benzothiole-5-carbaldehyde
CID 134929295
5-(chloromethyl)-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130884429
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde (CID 130866354) is 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde is O=Cc1c(Cl)cc(O)c2sccc12.
What is the InChIKey of 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde?
The InChIKey is BKVNXXUTUQMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClO2S/c10-7-3-8(12)9-5(1-2-13-9)6(7)4-11/h1-4,12H.
What are the key properties of 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde?
5-chloro-7-hydroxy-1-benzothiophene-4-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 5-chloro-7-hydroxy-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 130866354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).