1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid

C13H14N2O2 — CID 91672243

IUPAC1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid
SMILESCCn1c(-c2ccncc2)cc(C(=O)O)c1C
InChIInChI=1S/C13H14N2O2/c1-3-15-9(2)11(13(16)17)8-12(15)10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyCLOVWROGFWWPIY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.58
Rot. Bonds3

About 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid

1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid (PubChem CID 91672243) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid
PubChem CID91672243
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid
SMILESCCn1c(-c2ccncc2)cc(C(=O)O)c1C
InChIInChI=1S/C13H14N2O2/c1-3-15-9(2)11(13(16)17)8-12(15)10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyCLOVWROGFWWPIY-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-1-ethyl-2-methylpyrrole-3-carboxylic acid
CID 82089263
1-(2-hydroxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 82085719
2-methyl-1-(2-methylsulfanylethyl)-5-phenylpyrrole-3-carboxylic acid
CID 2736901
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid
CID 114954674
2-methyl-1-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid
CID 56670245
2,5-dipyridin-4-ylterephthalic acid
CID 163197795
2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 91672285
5-(2,5-dimethylphenyl)-2-methyl-1-propylpyrrole-3-carboxylic acid
CID 82093262
1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione
CID 121206672

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid (CID 91672243) is 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid is CCn1c(-c2ccncc2)cc(C(=O)O)c1C.
What is the InChIKey of 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid?
The InChIKey is CLOVWROGFWWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-15-9(2)11(13(16)17)8-12(15)10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid?
1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 91672243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).