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

C9H5FO2S — CID 131150700

IUPAC7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1cc2ccsc2c(F)c1O
InChIInChI=1S/C9H5FO2S/c10-7-8(12)6(4-11)3-5-1-2-13-9(5)7/h1-4,12H
InChIKeyKIZJLNUSRPWAMC-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.56
Rot. Bonds1

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

7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde (PubChem CID 131150700) has the molecular formula C9H5FO2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde
PubChem CID131150700
Molecular FormulaC9H5FO2S
Molecular Weight196.20 g/mol
Exact Mass196.00
IUPAC Name7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1cc2ccsc2c(F)c1O
InChIInChI=1S/C9H5FO2S/c10-7-8(12)6(4-11)3-5-1-2-13-9(5)7/h1-4,12H
InChIKeyKIZJLNUSRPWAMC-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde (CID 131150700) is 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde is O=Cc1cc2ccsc2c(F)c1O.
What is the InChIKey of 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde?
The InChIKey is KIZJLNUSRPWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2S/c10-7-8(12)6(4-11)3-5-1-2-13-9(5)7/h1-4,12H.
What are the key properties of 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde?
7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde has a molecular weight of 196.20 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 131150700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).