5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid

C11H9NO3S — CID 68613630

IUPAC5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid
SMILESNc1cccc(-c2ccc([12C](=O)O)s2)c1O
InChIInChI=1S/C11H9NO3S/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5,13H,12H2,(H,14,15)/i11+0
InChIKeyLWLQCLOEHJOGEL-DONHFQLQSA-N
MW235.25 g/mol
LogP2.40
Rot. Bonds2

About 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid

5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid (PubChem CID 68613630) has the molecular formula C11H9NO3S and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid
PubChem CID68613630
Molecular FormulaC11H9NO3S
Molecular Weight235.25 g/mol
Exact Mass235.03
IUPAC Name5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid
SMILESNc1cccc(-c2ccc([12C](=O)O)s2)c1O
InChIInChI=1S/C11H9NO3S/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5,13H,12H2,(H,14,15)/i11+0
InChIKeyLWLQCLOEHJOGEL-DONHFQLQSA-N
XLogP2.40
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid (CID 68613630) is 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid is Nc1cccc(-c2ccc([12C](=O)O)s2)c1O.
What is the InChIKey of 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is LWLQCLOEHJOGEL-DONHFQLQSA-N. The full InChI is InChI=1S/C11H9NO3S/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5,13H,12H2,(H,14,15)/i11+0.
What are the key properties of 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid?
5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68613630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).