4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid

C9H6BrNO2S — CID 130524770

IUPAC4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1-c1cscc1Br
InChIInChI=1S/C9H6BrNO2S/c10-8-4-14-3-7(8)5-1-11-2-6(5)9(12)13/h1-4,11H,(H,12,13)
InChIKeySEXGYXDXOCJPEV-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.20
Rot. Bonds2

About 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid

4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 130524770) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID130524770
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Name4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1-c1cscc1Br
InChIInChI=1S/C9H6BrNO2S/c10-8-4-14-3-7(8)5-1-11-2-6(5)9(12)13/h1-4,11H,(H,12,13)
InChIKeySEXGYXDXOCJPEV-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 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid (CID 130524770) is 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid is O=C(O)c1c[nH]cc1-c1cscc1Br.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is SEXGYXDXOCJPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c10-8-4-14-3-7(8)5-1-11-2-6(5)9(12)13/h1-4,11H,(H,12,13).
What are the key properties of 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid?
4-(4-bromothiophen-3-yl)-1H-pyrrole-3-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 4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 130524770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).