1-nonyl-6-oxopyridine-3-carboxylic acid

C15H23NO3 — CID 43129644

IUPAC1-nonyl-6-oxopyridine-3-carboxylic acid
SMILESCCCCCCCCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-11-16-12-13(15(18)19)9-10-14(16)17/h9-10,12H,2-8,11H2,1H3,(H,18,19)
InChIKeyMLJUGRHYGCVWHY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.30
Rot. Bonds9

About 1-nonyl-6-oxopyridine-3-carboxylic acid

1-nonyl-6-oxopyridine-3-carboxylic acid (PubChem CID 43129644) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-nonyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-nonyl-6-oxopyridine-3-carboxylic acid
PubChem CID43129644
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-nonyl-6-oxopyridine-3-carboxylic acid
SMILESCCCCCCCCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-11-16-12-13(15(18)19)9-10-14(16)17/h9-10,12H,2-8,11H2,1H3,(H,18,19)
InChIKeyMLJUGRHYGCVWHY-UHFFFAOYSA-N
XLogP3.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nonyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-nonyl-6-oxopyridine-3-carboxylic acid (CID 43129644) is 1-nonyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-nonyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-nonyl-6-oxopyridine-3-carboxylic acid is CCCCCCCCCn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-nonyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is MLJUGRHYGCVWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-11-16-12-13(15(18)19)9-10-14(16)17/h9-10,12H,2-8,11H2,1H3,(H,18,19).
What are the key properties of 1-nonyl-6-oxopyridine-3-carboxylic acid?
1-nonyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 43129644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).