5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid

C13H11ClFNO2 — CID 43671806

IUPAC5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccc(Cl)cc1F
InChIInChI=1S/C13H11ClFNO2/c1-2-16-11(5-6-12(16)13(17)18)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3,(H,17,18)
InChIKeyYQKARJACFXITHK-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.67
Rot. Bonds3

About 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid

5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid (PubChem CID 43671806) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
PubChem CID43671806
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccc(Cl)cc1F
InChIInChI=1S/C13H11ClFNO2/c1-2-16-11(5-6-12(16)13(17)18)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3,(H,17,18)
InChIKeyYQKARJACFXITHK-UHFFFAOYSA-N
XLogP3.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-bromo-5-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 81275513
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 43671786
1-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2-carboxylic acid
CID 107645794
1-ethyl-5-(4-fluoro-3-methylphenyl)pyrrole-2-carboxylic acid
CID 62812751
1-ethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrrole-2-carboxylic acid
CID 115564829
5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid
CID 82088851
5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxylic acid
CID 43671816
5-(4-bromo-3-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 107615544
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
5-(3-chloro-4-nitrophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82865012
5-[4-bromo-3-(trifluoromethyl)phenyl]-1-ethylpyrrole-2-carboxylic acid
CID 64855538

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid (CID 43671806) is 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid is CCn1c(C(=O)O)ccc1-c1ccc(Cl)cc1F.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is YQKARJACFXITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-2-16-11(5-6-12(16)13(17)18)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid?
5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 267.69 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).