2-oxo-1-pentylpyridine-4-carboxylic acid

C11H15NO3 — CID 44600735

IUPAC2-oxo-1-pentylpyridine-4-carboxylic acid
SMILESCCCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-6-12-7-5-9(11(14)15)8-10(12)13/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyGDUOYFRZSHLXOS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.74
Rot. Bonds5

About 2-oxo-1-pentylpyridine-4-carboxylic acid

2-oxo-1-pentylpyridine-4-carboxylic acid (PubChem CID 44600735) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-oxo-1-pentylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-pentylpyridine-4-carboxylic acid
PubChem CID44600735
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-oxo-1-pentylpyridine-4-carboxylic acid
SMILESCCCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-6-12-7-5-9(11(14)15)8-10(12)13/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyGDUOYFRZSHLXOS-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 2-oxo-1-pentylpyridine-4-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 2-oxo-1-pentylpyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-pentylpyridine-4-carboxylic acid (CID 44600735) is 2-oxo-1-pentylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-pentylpyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-pentylpyridine-4-carboxylic acid is CCCCCn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 2-oxo-1-pentylpyridine-4-carboxylic acid?
The InChIKey is GDUOYFRZSHLXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-4-6-12-7-5-9(11(14)15)8-10(12)13/h5,7-8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 2-oxo-1-pentylpyridine-4-carboxylic acid?
2-oxo-1-pentylpyridine-4-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 2-oxo-1-pentylpyridine-4-carboxylic acid is sourced from PubChem (CID 44600735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).