3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid

C9H6BrNO2S — CID 83557559

IUPAC3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1ccc(Br)s1
InChIInChI=1S/C9H6BrNO2S/c10-7-2-1-6(14-7)5-3-4-11-8(5)9(12)13/h1-4,11H,(H,12,13)
InChIKeyVVQXQNGTRQDTGW-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.20
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid

3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 83557559) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID83557559
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Name3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1ccc(Br)s1
InChIInChI=1S/C9H6BrNO2S/c10-7-2-1-6(14-7)5-3-4-11-8(5)9(12)13/h1-4,11H,(H,12,13)
InChIKeyVVQXQNGTRQDTGW-UHFFFAOYSA-N
XLogP3.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid (CID 83557559) is 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is VVQXQNGTRQDTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c10-7-2-1-6(14-7)5-3-4-11-8(5)9(12)13/h1-4,11H,(H,12,13).
What are the key properties of 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid?
3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 272.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 83557559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).