1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C13H9F2NO4 — CID 127052749

IUPAC1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(F)cc2F)cc(O)c1=O
InChIInChI=1S/C13H9F2NO4/c14-8-2-1-7(10(15)3-8)4-16-5-9(13(19)20)12(18)11(17)6-16/h1-3,5-6,17H,4H2,(H,19,20)
InChIKeyVVKWEJUZDOAZMI-UHFFFAOYSA-N
MW281.21 g/mol
LogP1.58
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 127052749) has the molecular formula C13H9F2NO4 and a molecular weight of 281.21 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID127052749
Molecular FormulaC13H9F2NO4
Molecular Weight281.21 g/mol
Exact Mass281.05
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(F)cc2F)cc(O)c1=O
InChIInChI=1S/C13H9F2NO4/c14-8-2-1-7(10(15)3-8)4-16-5-9(13(19)20)12(18)11(17)6-16/h1-3,5-6,17H,4H2,(H,19,20)
InChIKeyVVKWEJUZDOAZMI-UHFFFAOYSA-N
XLogP1.58
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 127052749) is 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(F)cc2F)cc(O)c1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is VVKWEJUZDOAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4/c14-8-2-1-7(10(15)3-8)4-16-5-9(13(19)20)12(18)11(17)6-16/h1-3,5-6,17H,4H2,(H,19,20).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 281.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127052749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).