5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid

C9H6FNO2S — CID 130816675

IUPAC5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
SMILESNc1cc(C(=O)O)c2sc(F)cc2c1
InChIInChI=1S/C9H6FNO2S/c10-7-2-4-1-5(11)3-6(9(12)13)8(4)14-7/h1-3H,11H2,(H,12,13)
InChIKeyKWNPHHKMTHTBNP-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.32
Rot. Bonds1

About 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid

5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid (PubChem CID 130816675) has the molecular formula C9H6FNO2S and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
PubChem CID130816675
Molecular FormulaC9H6FNO2S
Molecular Weight211.22 g/mol
Exact Mass211.01
IUPAC Name5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
SMILESNc1cc(C(=O)O)c2sc(F)cc2c1
InChIInChI=1S/C9H6FNO2S/c10-7-2-4-1-5(11)3-6(9(12)13)8(4)14-7/h1-3H,11H2,(H,12,13)
InChIKeyKWNPHHKMTHTBNP-UHFFFAOYSA-N
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7-diaminodibenzothiophene-2,8-dicarboxylic acid
CID 19359022
6-chloro-2-fluoro-1-benzothiophene-4-carboxylic acid
CID 130969858
2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
CID 130839072
6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid
CID 130898358
5-amino-1-methylindole-7-carboxylic acid
CID 83483770
2,3,5-triaminobenzoic acid
CID 18407375
2,5-dichloro-1-benzothiophene-7-carboxylic acid
CID 131029438
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
2-amino-4-fluoro-1-benzothiophene-6-carboxylic acid
CID 130816481
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
7-amino-2-hydroxy-1-benzothiophene-6-carboxylic acid
CID 131034306

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid?
The IUPAC name of 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid (CID 130816675) is 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid.
What is the SMILES notation for 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid?
The canonical SMILES for 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid is Nc1cc(C(=O)O)c2sc(F)cc2c1.
What is the InChIKey of 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid?
The InChIKey is KWNPHHKMTHTBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2S/c10-7-2-4-1-5(11)3-6(9(12)13)8(4)14-7/h1-3H,11H2,(H,12,13).
What are the key properties of 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid?
5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid is sourced from PubChem (CID 130816675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).