5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde

C10H7FO2S — CID 130941216

IUPAC5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1c(F)cc2ccsc2c1C=O
InChIInChI=1S/C10H7FO2S/c1-13-9-7(5-12)10-6(2-3-14-10)4-8(9)11/h2-5H,1H3
InChIKeyAEOGXVSMLJFUSS-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.86
Rot. Bonds2

About 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde

5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde (PubChem CID 130941216) has the molecular formula C10H7FO2S and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
PubChem CID130941216
Molecular FormulaC10H7FO2S
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1c(F)cc2ccsc2c1C=O
InChIInChI=1S/C10H7FO2S/c1-13-9-7(5-12)10-6(2-3-14-10)4-8(9)11/h2-5H,1H3
InChIKeyAEOGXVSMLJFUSS-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 131002434
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
6-methoxy-7-methyl-1-benzothiophene-5-thiol
CID 130944023
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388
5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
CID 131196097
5-chloro-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130956878
5-(chloromethyl)-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130884429

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde (CID 130941216) is 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde is COc1c(F)cc2ccsc2c1C=O.
What is the InChIKey of 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is AEOGXVSMLJFUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2S/c1-13-9-7(5-12)10-6(2-3-14-10)4-8(9)11/h2-5H,1H3.
What are the key properties of 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde?
5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130941216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).