5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid

C14H13NO4 — CID 58067537

IUPAC5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C14H13NO4/c16-12-9-15(8-11(13(12)17)14(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,18,19)
InChIKeyHRJWCOXYLCAWNR-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.49
Rot. Bonds4

About 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid (PubChem CID 58067537) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
PubChem CID58067537
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C14H13NO4/c16-12-9-15(8-11(13(12)17)14(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,18,19)
InChIKeyHRJWCOXYLCAWNR-UHFFFAOYSA-N
XLogP1.49
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-Chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067671
5-Hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
CID 58067672
1-[2-(4-Chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067723
5-Hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
CID 58067742
5-Hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid
CID 58067745
5-Hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
CID 58067757
1-[2-(2-Chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 134141955
5-Hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067514
5-Hydroxy-4-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 58067648
5-Hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
CID 58067661
5-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067669
5-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid
CID 58067675

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid (CID 58067537) is 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid is O=C(O)c1cn(CCc2ccccc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The InChIKey is HRJWCOXYLCAWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12-9-15(8-11(13(12)17)14(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,18,19).
What are the key properties of 5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.49, 4 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-(2-phenylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 58067537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).