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

C9H4ClNOS — CID 130941944

IUPAC7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile
SMILESN#Cc1cc(Cl)c2sccc2c1O
InChIInChI=1S/C9H4ClNOS/c10-7-3-5(4-11)8(12)6-1-2-13-9(6)7/h1-3,12H
InChIKeyPUHOVZVXKSNTBF-UHFFFAOYSA-N
MW209.66 g/mol
LogP3.13
Rot. Bonds

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

7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile (PubChem CID 130941944) has the molecular formula C9H4ClNOS and a molecular weight of 209.66 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile
PubChem CID130941944
Molecular FormulaC9H4ClNOS
Molecular Weight209.66 g/mol
Exact Mass208.97
IUPAC Name7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile
SMILESN#Cc1cc(Cl)c2sccc2c1O
InChIInChI=1S/C9H4ClNOS/c10-7-3-5(4-11)8(12)6-1-2-13-9(6)7/h1-3,12H
InChIKeyPUHOVZVXKSNTBF-UHFFFAOYSA-N
XLogP3.13
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4,7-dichloro-1-benzothiophene-5-carbonitrile
CID 91882062
7-chloro-1-benzothiophene-4-carbonitrile
CID 130063068
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130884788
6-chloro-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131191503
4-chloro-7-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130898597
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213
5-hydroxy-7-sulfanyl-1-benzothiophene-4-carbonitrile
CID 130805806
4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
CID 130883199
5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
CID 131080368
5,7-dihydroxy-1-benzothiophene-6-carbonitrile
CID 131091563
7-(chloromethyl)-6-iodo-1-benzothiophene-4-carbonitrile
CID 130951708
2-chlorothiophene-3-carbonitrile
CID 14710956

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile?
The IUPAC name of 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile (CID 130941944) is 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile is N#Cc1cc(Cl)c2sccc2c1O.
What is the InChIKey of 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile?
The InChIKey is PUHOVZVXKSNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClNOS/c10-7-3-5(4-11)8(12)6-1-2-13-9(6)7/h1-3,12H.
What are the key properties of 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile?
7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile has a molecular weight of 209.66 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 130941944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).