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

C9H6N2OS — CID 131080368

IUPAC5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
SMILESN#Cc1c(N)cc(O)c2sccc12
InChIInChI=1S/C9H6N2OS/c10-4-6-5-1-2-13-9(5)8(12)3-7(6)11/h1-3,12H,11H2
InChIKeyFOVJLPORLCDGNZ-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.06
Rot. Bonds

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

5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile (PubChem CID 131080368) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile.

Molecular Properties

Compound Name5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
PubChem CID131080368
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
SMILESN#Cc1c(N)cc(O)c2sccc12
InChIInChI=1S/C9H6N2OS/c10-4-6-5-1-2-13-9(5)8(12)3-7(6)11/h1-3,12H,11H2
InChIKeyFOVJLPORLCDGNZ-UHFFFAOYSA-N
XLogP2.06
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
CID 130883199
5-amino-7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
CID 131059874
6-amino-4-sulfanyl-1-benzothiophene-7-carbonitrile
CID 130826550
5-hydroxy-7-sulfanyl-1-benzothiophene-4-carbonitrile
CID 130805806
7-amino-5-(chloromethyl)-1-benzothiophene-4-carbonitrile
CID 131053969
4-amino-1-benzothiophen-7-ol
CID 54042760
6-amino-7-sulfanyl-1-benzothiophen-4-ol
CID 130971932
2-(7-amino-4-hydroxy-1-benzothiophen-5-yl)acetonitrile
CID 130821249
6-amino-4-chloro-1-benzothiophene-5-carbonitrile
CID 130792174
5,7-dihydroxy-1-benzothiophene-6-carbonitrile
CID 131091563
7-(hydroxymethyl)-5-methyl-1-benzothiophene-4-carbonitrile
CID 130961053
5-amino-7-methylsulfanyl-1-benzothiophene-6-carbonitrile
CID 130805364

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile?
The IUPAC name of 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile (CID 131080368) is 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile.
What is the SMILES notation for 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile?
The canonical SMILES for 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile is N#Cc1c(N)cc(O)c2sccc12.
What is the InChIKey of 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile?
The InChIKey is FOVJLPORLCDGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c10-4-6-5-1-2-13-9(5)8(12)3-7(6)11/h1-3,12H,11H2.
What are the key properties of 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile?
5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile has a molecular weight of 190.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile is sourced from PubChem (CID 131080368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).