2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid

C7H4BrNO2S — CID 22556510

IUPAC2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)sc2[nH]1
InChIInChI=1S/C7H4BrNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)
InChIKeyXAFRVVYPVBHBMA-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.69
Rot. Bonds1

About 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid

2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid (PubChem CID 22556510) has the molecular formula C7H4BrNO2S and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
PubChem CID22556510
Molecular FormulaC7H4BrNO2S
Molecular Weight246.09 g/mol
Exact Mass244.91
IUPAC Name2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)sc2[nH]1
InChIInChI=1S/C7H4BrNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)
InChIKeyXAFRVVYPVBHBMA-UHFFFAOYSA-N
XLogP2.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid (CID 22556510) is 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2cc(Br)sc2[nH]1.
What is the InChIKey of 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
The InChIKey is XAFRVVYPVBHBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11).
What are the key properties of 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid?
2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid has a molecular weight of 246.09 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 22556510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).