1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid

C10H13NO4 — CID 82896579

IUPAC1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCCCO)c(=O)c1
InChIInChI=1S/C10H13NO4/c12-6-2-1-4-11-5-3-8(10(14)15)7-9(11)13/h3,5,7,12H,1-2,4,6H2,(H,14,15)
InChIKeyZVWMWPQJOCXNCX-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.32
Rot. Bonds5

About 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid

1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 82896579) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid
PubChem CID82896579
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCCCO)c(=O)c1
InChIInChI=1S/C10H13NO4/c12-6-2-1-4-11-5-3-8(10(14)15)7-9(11)13/h3,5,7,12H,1-2,4,6H2,(H,14,15)
InChIKeyZVWMWPQJOCXNCX-UHFFFAOYSA-N
XLogP0.32
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.32
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-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid (CID 82896579) is 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(CCCCO)c(=O)c1.
What is the InChIKey of 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is ZVWMWPQJOCXNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-6-2-1-4-11-5-3-8(10(14)15)7-9(11)13/h3,5,7,12H,1-2,4,6H2,(H,14,15).
What are the key properties of 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid?
1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82896579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).