7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid

C9H7NO3S — CID 131034306

IUPAC7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
SMILESNc1c(C(=O)O)ccc2cc(O)sc12
InChIInChI=1S/C9H7NO3S/c10-7-5(9(12)13)2-1-4-3-6(11)14-8(4)7/h1-3,11H,10H2,(H,12,13)
InChIKeyZZDIAKMGXBHRQC-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.89
Rot. Bonds1

About 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid

7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid (PubChem CID 131034306) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
PubChem CID131034306
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
SMILESNc1c(C(=O)O)ccc2cc(O)sc12
InChIInChI=1S/C9H7NO3S/c10-7-5(9(12)13)2-1-4-3-6(11)14-8(4)7/h1-3,11H,10H2,(H,12,13)
InChIKeyZZDIAKMGXBHRQC-UHFFFAOYSA-N
XLogP1.89
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-hydroxynaphthalene-2-carboxylic acid
CID 115022788
4-amino-2-sulfanyl-1-benzothiophene-7-carboxylic acid
CID 130969907
1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
7-iodo-6-methyl-1-benzothiophen-2-ol
CID 130870307
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid
CID 131196595
8-amino-2-methylquinoline-7-carboxylic acid
CID 62953271
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
benzene-1,2,4,5-tetracarboxylic acid;ethene
CID 69404870
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
2,3-diamino-4-chlorobenzoic acid
CID 10655174
5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
CID 130816675

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid?
The IUPAC name of 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid (CID 131034306) is 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid.
What is the SMILES notation for 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid?
The canonical SMILES for 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid is Nc1c(C(=O)O)ccc2cc(O)sc12.
What is the InChIKey of 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid?
The InChIKey is ZZDIAKMGXBHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c10-7-5(9(12)13)2-1-4-3-6(11)14-8(4)7/h1-3,11H,10H2,(H,12,13).
What are the key properties of 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid?
7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid is sourced from PubChem (CID 131034306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).