1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid

C14H14FNO2 — CID 43671786

IUPAC1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccc(F)cc1C
InChIInChI=1S/C14H14FNO2/c1-3-16-12(6-7-13(16)14(17)18)11-5-4-10(15)8-9(11)2/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyGWOGOIFUKMZESE-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.32
Rot. Bonds3

About 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid

1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid (PubChem CID 43671786) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
PubChem CID43671786
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccc(F)cc1C
InChIInChI=1S/C14H14FNO2/c1-3-16-12(6-7-13(16)14(17)18)11-5-4-10(15)8-9(11)2/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyGWOGOIFUKMZESE-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 43671806
1-ethyl-5-(4-fluoro-3-methylphenyl)pyrrole-2-carboxylic acid
CID 62812751
ethyl 5-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxylate
CID 91202281
1-ethyl-5-(2,3,4,5,6-pentafluorophenyl)pyrrole-2-carboxylic acid
CID 115564829
1-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2-carboxylic acid
CID 107645794
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
5-(2-bromo-5-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 81275513
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
5-[4-bromo-3-(trifluoromethyl)phenyl]-1-ethylpyrrole-2-carboxylic acid
CID 64855538
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
5-(4-bromo-3-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 107615544

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid (CID 43671786) is 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid is CCn1c(C(=O)O)ccc1-c1ccc(F)cc1C.
What is the InChIKey of 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is GWOGOIFUKMZESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-3-16-12(6-7-13(16)14(17)18)11-5-4-10(15)8-9(11)2/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid?
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).