6-oxo-1-pentylpyridine-3-carboxylic acid

C11H15NO3 — CID 28549136

IUPAC6-oxo-1-pentylpyridine-3-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-7-12-8-9(11(14)15)5-6-10(12)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChIKeyWGGHHNVNVYIJSK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.74
Rot. Bonds5

About 6-oxo-1-pentylpyridine-3-carboxylic acid

6-oxo-1-pentylpyridine-3-carboxylic acid (PubChem CID 28549136) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-oxo-1-pentylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pentylpyridine-3-carboxylic acid
PubChem CID28549136
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name6-oxo-1-pentylpyridine-3-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-7-12-8-9(11(14)15)5-6-10(12)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChIKeyWGGHHNVNVYIJSK-UHFFFAOYSA-N
XLogP1.74
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-oxo-1-pentylpyridine-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-oxo-1-pentylpyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pentylpyridine-3-carboxylic acid (CID 28549136) is 6-oxo-1-pentylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pentylpyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pentylpyridine-3-carboxylic acid is CCCCCn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-1-pentylpyridine-3-carboxylic acid?
The InChIKey is WGGHHNVNVYIJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-4-7-12-8-9(11(14)15)5-6-10(12)13/h5-6,8H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 6-oxo-1-pentylpyridine-3-carboxylic acid?
6-oxo-1-pentylpyridine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pentylpyridine-3-carboxylic acid is sourced from PubChem (CID 28549136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).