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

C11H8ClNO2 — CID 82392303

IUPAC2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc[nH]c1-c1ccccc1Cl
InChIInChI=1S/C11H8ClNO2/c12-9-4-2-1-3-7(9)10-8(11(14)15)5-6-13-10/h1-6,13H,(H,14,15)
InChIKeyXNCCCDKOEDMKMX-UHFFFAOYSA-N
MW221.64 g/mol
LogP3.03
Rot. Bonds2

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

2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82392303) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID82392303
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1cc[nH]c1-c1ccccc1Cl
InChIInChI=1S/C11H8ClNO2/c12-9-4-2-1-3-7(9)10-8(11(14)15)5-6-13-10/h1-6,13H,(H,14,15)
InChIKeyXNCCCDKOEDMKMX-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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Related Compounds

2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
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2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96613437
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 90221279
4-(2-chlorophenyl)furan-3-carboxylic acid
CID 117223453
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 50877116
4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
CID 105498309
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
4-(2-chlorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22831559

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid (CID 82392303) is 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid is O=C(O)c1cc[nH]c1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is XNCCCDKOEDMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-9-4-2-1-3-7(9)10-8(11(14)15)5-6-13-10/h1-6,13H,(H,14,15).
What are the key properties of 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
2-(2-chlorophenyl)-1H-pyrrole-3-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 2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82392303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).