1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid

C11H15NO4 — CID 62229229

IUPAC1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CCCCCO)c1=O
InChIInChI=1S/C11H15NO4/c13-8-3-1-2-6-12-7-4-5-9(10(12)14)11(15)16/h4-5,7,13H,1-3,6,8H2,(H,15,16)
InChIKeyRKQKQJUFYSFLLV-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.71
Rot. Bonds6

About 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid

1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 62229229) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid
PubChem CID62229229
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CCCCCO)c1=O
InChIInChI=1S/C11H15NO4/c13-8-3-1-2-6-12-7-4-5-9(10(12)14)11(15)16/h4-5,7,13H,1-3,6,8H2,(H,15,16)
InChIKeyRKQKQJUFYSFLLV-UHFFFAOYSA-N
XLogP0.71
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid (CID 62229229) is 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(CCCCCO)c1=O.
What is the InChIKey of 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is RKQKQJUFYSFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-8-3-1-2-6-12-7-4-5-9(10(12)14)11(15)16/h4-5,7,13H,1-3,6,8H2,(H,15,16).
What are the key properties of 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid?
1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62229229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).