1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C13H10FNO4 — CID 58067778

IUPAC1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(F)cc2)cc(O)c1=O
InChIInChI=1S/C13H10FNO4/c14-9-3-1-8(2-4-9)5-15-6-10(13(18)19)12(17)11(16)7-15/h1-4,6-7,16H,5H2,(H,18,19)
InChIKeyOZBTUFVTQBQRFT-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.44
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 58067778) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID58067778
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(F)cc2)cc(O)c1=O
InChIInChI=1S/C13H10FNO4/c14-9-3-1-8(2-4-9)5-15-6-10(13(18)19)12(17)11(16)7-15/h1-4,6-7,16H,5H2,(H,18,19)
InChIKeyOZBTUFVTQBQRFT-UHFFFAOYSA-N
XLogP1.44
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 58067778) is 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(F)cc2)cc(O)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is OZBTUFVTQBQRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-9-3-1-8(2-4-9)5-15-6-10(13(18)19)12(17)11(16)7-15/h1-4,6-7,16H,5H2,(H,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).