7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile

C10H7NOS — CID 162352285

IUPAC7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
SMILESN#Cc1ccc(CO)c2sccc12
InChIInChI=1S/C10H7NOS/c11-5-7-1-2-8(6-12)10-9(7)3-4-13-10/h1-4,12H,6H2
InChIKeyUYLDXSZCMYWHDO-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.27
Rot. Bonds1

About 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile

7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile (PubChem CID 162352285) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile.

Molecular Properties

Compound Name7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
PubChem CID162352285
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
SMILESN#Cc1ccc(CO)c2sccc12
InChIInChI=1S/C10H7NOS/c11-5-7-1-2-8(6-12)10-9(7)3-4-13-10/h1-4,12H,6H2
InChIKeyUYLDXSZCMYWHDO-UHFFFAOYSA-N
XLogP2.27
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile 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-(hydroxymethyl)-1-benzothiophene-4-carbonitrile?
The IUPAC name of 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile (CID 162352285) is 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile.
What is the SMILES notation for 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile?
The canonical SMILES for 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile is N#Cc1ccc(CO)c2sccc12.
What is the InChIKey of 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile?
The InChIKey is UYLDXSZCMYWHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c11-5-7-1-2-8(6-12)10-9(7)3-4-13-10/h1-4,12H,6H2.
What are the key properties of 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile?
7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile has a molecular weight of 189.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile is sourced from PubChem (CID 162352285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).