3-octyl-2-oxopyridine-1-carboxylic acid

C14H21NO3 — CID 90425465

IUPAC3-octyl-2-oxopyridine-1-carboxylic acid
SMILESCCCCCCCCc1cccn(C(=O)O)c1=O
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-6-7-9-12-10-8-11-15(13(12)16)14(17)18/h8,10-11H,2-7,9H2,1H3,(H,17,18)
InChIKeyNQBFZGPIDNPMKW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds7

About 3-octyl-2-oxopyridine-1-carboxylic acid

3-octyl-2-oxopyridine-1-carboxylic acid (PubChem CID 90425465) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-octyl-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-octyl-2-oxopyridine-1-carboxylic acid
PubChem CID90425465
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-octyl-2-oxopyridine-1-carboxylic acid
SMILESCCCCCCCCc1cccn(C(=O)O)c1=O
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-6-7-9-12-10-8-11-15(13(12)16)14(17)18/h8,10-11H,2-7,9H2,1H3,(H,17,18)
InChIKeyNQBFZGPIDNPMKW-UHFFFAOYSA-N
XLogP3.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-octyl-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 3-octyl-2-oxopyridine-1-carboxylic acid (CID 90425465) is 3-octyl-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 3-octyl-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 3-octyl-2-oxopyridine-1-carboxylic acid is CCCCCCCCc1cccn(C(=O)O)c1=O.
What is the InChIKey of 3-octyl-2-oxopyridine-1-carboxylic acid?
The InChIKey is NQBFZGPIDNPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-9-12-10-8-11-15(13(12)16)14(17)18/h8,10-11H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 3-octyl-2-oxopyridine-1-carboxylic acid?
3-octyl-2-oxopyridine-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90425465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).