6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid

C9H11NO3 — CID 70609891

IUPAC6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid
SMILESCCC1=C(C(=O)O)C(=O)CC(C)=N1
InChIInChI=1S/C9H11NO3/c1-3-6-8(9(12)13)7(11)4-5(2)10-6/h3-4H2,1-2H3,(H,12,13)
InChIKeyONKYJCTZXGTJMG-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.17
Rot. Bonds2

About 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid

6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid (PubChem CID 70609891) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid
PubChem CID70609891
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid
SMILESCCC1=C(C(=O)O)C(=O)CC(C)=N1
InChIInChI=1S/C9H11NO3/c1-3-6-8(9(12)13)7(11)4-5(2)10-6/h3-4H2,1-2H3,(H,12,13)
InChIKeyONKYJCTZXGTJMG-UHFFFAOYSA-N
XLogP1.17
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid?
The IUPAC name of 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid (CID 70609891) is 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid?
The canonical SMILES for 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid is CCC1=C(C(=O)O)C(=O)CC(C)=N1.
What is the InChIKey of 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid?
The InChIKey is ONKYJCTZXGTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-6-8(9(12)13)7(11)4-5(2)10-6/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid?
6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-oxo-3H-pyridine-5-carboxylic acid is sourced from PubChem (CID 70609891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).