1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C14H12ClNO4 — CID 58067671

IUPAC1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2cccc(Cl)c2)cc(O)c1=O
InChIInChI=1S/C14H12ClNO4/c15-10-3-1-2-9(6-10)4-5-16-7-11(14(19)20)13(18)12(17)8-16/h1-3,6-8,17H,4-5H2,(H,19,20)
InChIKeyYLYZIIAPDTVEKB-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067671) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067671
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2cccc(Cl)c2)cc(O)c1=O
InChIInChI=1S/C14H12ClNO4/c15-10-3-1-2-9(6-10)4-5-16-7-11(14(19)20)13(18)12(17)8-16/h1-3,6-8,17H,4-5H2,(H,19,20)
InChIKeyYLYZIIAPDTVEKB-UHFFFAOYSA-N
XLogP2.15
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067671) is 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CCc2cccc(Cl)c2)cc(O)c1=O.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is YLYZIIAPDTVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-10-3-1-2-9(6-10)4-5-16-7-11(14(19)20)13(18)12(17)8-16/h1-3,6-8,17H,4-5H2,(H,19,20).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).