2-amino-4-chlorothiophene-3-carboxylic acid

C5H4ClNO2S — CID 71429266

IUPAC2-amino-4-chlorothiophene-3-carboxylic acid
SMILESNc1scc(Cl)c1C(=O)O
InChIInChI=1S/C5H4ClNO2S/c6-2-1-10-4(7)3(2)5(8)9/h1H,7H2,(H,8,9)
InChIKeyXWLAJDLDOZUPRM-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-4-chlorothiophene-3-carboxylic acid

2-amino-4-chlorothiophene-3-carboxylic acid (PubChem CID 71429266) has the molecular formula C5H4ClNO2S and a molecular weight of 177.61 g/mol. Its IUPAC name is 2-amino-4-chlorothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-chlorothiophene-3-carboxylic acid
PubChem CID71429266
Molecular FormulaC5H4ClNO2S
Molecular Weight177.61 g/mol
Exact Mass176.97
IUPAC Name2-amino-4-chlorothiophene-3-carboxylic acid
SMILESNc1scc(Cl)c1C(=O)O
InChIInChI=1S/C5H4ClNO2S/c6-2-1-10-4(7)3(2)5(8)9/h1H,7H2,(H,8,9)
InChIKeyXWLAJDLDOZUPRM-UHFFFAOYSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chlorothiophene-3-carboxylic acid?
The IUPAC name of 2-amino-4-chlorothiophene-3-carboxylic acid (CID 71429266) is 2-amino-4-chlorothiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-chlorothiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-4-chlorothiophene-3-carboxylic acid is Nc1scc(Cl)c1C(=O)O.
What is the InChIKey of 2-amino-4-chlorothiophene-3-carboxylic acid?
The InChIKey is XWLAJDLDOZUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S/c6-2-1-10-4(7)3(2)5(8)9/h1H,7H2,(H,8,9).
What are the key properties of 2-amino-4-chlorothiophene-3-carboxylic acid?
2-amino-4-chlorothiophene-3-carboxylic acid has a molecular weight of 177.61 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chlorothiophene-3-carboxylic acid is sourced from PubChem (CID 71429266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).