2-acetyl-5-ethylpyridine-3-carboxylic acid

C10H11NO3 — CID 19902850

IUPAC2-acetyl-5-ethylpyridine-3-carboxylic acid
SMILESCCc1cnc(C(C)=O)c(C(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-3-7-4-8(10(13)14)9(6(2)12)11-5-7/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyJQBCTMGISJAMKL-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.54
Rot. Bonds3

About 2-acetyl-5-ethylpyridine-3-carboxylic acid

2-acetyl-5-ethylpyridine-3-carboxylic acid (PubChem CID 19902850) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-acetyl-5-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-5-ethylpyridine-3-carboxylic acid
PubChem CID19902850
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-acetyl-5-ethylpyridine-3-carboxylic acid
SMILESCCc1cnc(C(C)=O)c(C(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-3-7-4-8(10(13)14)9(6(2)12)11-5-7/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyJQBCTMGISJAMKL-UHFFFAOYSA-N
XLogP1.54
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-ethylpyridine-3-carboxylic acid?
The IUPAC name of 2-acetyl-5-ethylpyridine-3-carboxylic acid (CID 19902850) is 2-acetyl-5-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-5-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-acetyl-5-ethylpyridine-3-carboxylic acid is CCc1cnc(C(C)=O)c(C(=O)O)c1.
What is the InChIKey of 2-acetyl-5-ethylpyridine-3-carboxylic acid?
The InChIKey is JQBCTMGISJAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-7-4-8(10(13)14)9(6(2)12)11-5-7/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-acetyl-5-ethylpyridine-3-carboxylic acid?
2-acetyl-5-ethylpyridine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 19902850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).