6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C9H11NO3 — CID 18524021

IUPAC6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C(=O)O)cc1C
InChIInChI=1S/C9H11NO3/c1-3-7-5(2)4-6(9(12)13)8(11)10-7/h4H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKELKJKSNDLVFCV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.94
Rot. Bonds2

About 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 18524021) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID18524021
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C(=O)O)cc1C
InChIInChI=1S/C9H11NO3/c1-3-7-5(2)4-6(9(12)13)8(11)10-7/h4H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKELKJKSNDLVFCV-UHFFFAOYSA-N
XLogP0.94
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 18524021) is 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1[nH]c(=O)c(C(=O)O)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KELKJKSNDLVFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-7-5(2)4-6(9(12)13)8(11)10-7/h4H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 18524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).