5-amino-4-bromothiophene-2-carboxylic acid

C5H4BrNO2S — CID 68895677

IUPAC5-amino-4-bromothiophene-2-carboxylic acid
SMILESNc1sc(C(=O)O)cc1Br
InChIInChI=1S/C5H4BrNO2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,7H2,(H,8,9)
InChIKeyLGULHFRXMKEWPD-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.79
Rot. Bonds1

About 5-amino-4-bromothiophene-2-carboxylic acid

5-amino-4-bromothiophene-2-carboxylic acid (PubChem CID 68895677) has the molecular formula C5H4BrNO2S and a molecular weight of 222.06 g/mol. Its IUPAC name is 5-amino-4-bromothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-bromothiophene-2-carboxylic acid
PubChem CID68895677
Molecular FormulaC5H4BrNO2S
Molecular Weight222.06 g/mol
Exact Mass220.91
IUPAC Name5-amino-4-bromothiophene-2-carboxylic acid
SMILESNc1sc(C(=O)O)cc1Br
InChIInChI=1S/C5H4BrNO2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,7H2,(H,8,9)
InChIKeyLGULHFRXMKEWPD-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromothiophene-2-carboxylic acid?
The IUPAC name of 5-amino-4-bromothiophene-2-carboxylic acid (CID 68895677) is 5-amino-4-bromothiophene-2-carboxylic acid.
What is the SMILES notation for 5-amino-4-bromothiophene-2-carboxylic acid?
The canonical SMILES for 5-amino-4-bromothiophene-2-carboxylic acid is Nc1sc(C(=O)O)cc1Br.
What is the InChIKey of 5-amino-4-bromothiophene-2-carboxylic acid?
The InChIKey is LGULHFRXMKEWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,7H2,(H,8,9).
What are the key properties of 5-amino-4-bromothiophene-2-carboxylic acid?
5-amino-4-bromothiophene-2-carboxylic acid has a molecular weight of 222.06 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromothiophene-2-carboxylic acid is sourced from PubChem (CID 68895677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).