1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid

C13H11NO4 — CID 58067708

IUPAC1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2)cc(O)c1=O
InChIInChI=1S/C13H11NO4/c15-11-8-14(6-9-4-2-1-3-5-9)7-10(12(11)16)13(17)18/h1-5,7-8,15H,6H2,(H,17,18)
InChIKeyNLWARHJGLZKMGA-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.30
Rot. Bonds3

About 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067708) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067708
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2)cc(O)c1=O
InChIInChI=1S/C13H11NO4/c15-11-8-14(6-9-4-2-1-3-5-9)7-10(12(11)16)13(17)18/h1-5,7-8,15H,6H2,(H,17,18)
InChIKeyNLWARHJGLZKMGA-UHFFFAOYSA-N
XLogP1.30
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067708) is 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccccc2)cc(O)c1=O.
What is the InChIKey of 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is NLWARHJGLZKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-11-8-14(6-9-4-2-1-3-5-9)7-10(12(11)16)13(17)18/h1-5,7-8,15H,6H2,(H,17,18).
What are the key properties of 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).