5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid

C15H15NO4 — CID 58067661

IUPAC5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C15H15NO4/c17-13-10-16(9-12(14(13)18)15(19)20)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H,19,20)
InChIKeyZERDRLVCCJVVDY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.88
Rot. Bonds5

About 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid (PubChem CID 58067661) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
PubChem CID58067661
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C15H15NO4/c17-13-10-16(9-12(14(13)18)15(19)20)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H,19,20)
InChIKeyZERDRLVCCJVVDY-UHFFFAOYSA-N
XLogP1.88
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid (CID 58067661) is 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid is O=C(O)c1cn(CCCc2ccccc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid?
The InChIKey is ZERDRLVCCJVVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13-10-16(9-12(14(13)18)15(19)20)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H,19,20).
What are the key properties of 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 58067661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).