4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

C11H8ClNO2 — CID 83536330

IUPAC4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-2-7(4-9)8-5-10(11(14)15)13-6-8/h1-6,13H,(H,14,15)
InChIKeyGVRLCPQFLJQUFU-UHFFFAOYSA-N
MW221.64 g/mol
LogP3.03
Rot. Bonds2

About 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 83536330) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID83536330
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-2-7(4-9)8-5-10(11(14)15)13-6-8/h1-6,13H,(H,14,15)
InChIKeyGVRLCPQFLJQUFU-UHFFFAOYSA-N
XLogP3.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid (CID 83536330) is 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is GVRLCPQFLJQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-9-3-1-2-7(4-9)8-5-10(11(14)15)13-6-8/h1-6,13H,(H,14,15).
What are the key properties of 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 221.64 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 83536330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).