4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid

C11H10ClNO2S — CID 114604040

IUPAC4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid
SMILESCC(c1cccs1)n1cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H10ClNO2S/c1-7(10-3-2-4-16-10)13-6-8(12)5-9(13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyJKQAWANMXUQVNC-UHFFFAOYSA-N
MW255.73 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid

4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid (PubChem CID 114604040) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid
PubChem CID114604040
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid
SMILESCC(c1cccs1)n1cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H10ClNO2S/c1-7(10-3-2-4-16-10)13-6-8(12)5-9(13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyJKQAWANMXUQVNC-UHFFFAOYSA-N
XLogP3.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid
CID 114604042
4-iodo-1-(2-methyl-1-thiophen-2-ylpropyl)pyrrole-2-carboxylic acid
CID 114604547
1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543091
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
CID 131000852
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
4-chloro-1-(1-pyrazol-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114604251
5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid
CID 82037902
2-chloro-1-[2,5-dimethyl-1-(1-thiophen-2-ylethyl)pyrrol-3-yl]ethanone
CID 43534625
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
3-(1-thiophen-2-ylethoxy)benzoic acid
CID 82037598
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid
CID 117001368

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid (CID 114604040) is 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid is CC(c1cccs1)n1cc(Cl)cc1C(=O)O.
What is the InChIKey of 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid?
The InChIKey is JKQAWANMXUQVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-7(10-3-2-4-16-10)13-6-8(12)5-9(13)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid?
4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid has a molecular weight of 255.73 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114604040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).