5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid

C13H8FNO5 — CID 53223813

IUPAC5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc(-c2c[nH]c(=O)cc2C(=O)O)c1
InChIInChI=1S/C13H8FNO5/c14-8-2-6(1-7(3-8)12(17)18)10-5-15-11(16)4-9(10)13(19)20/h1-5H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyKDGXHVXSFZTXCF-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.58
Rot. Bonds3

About 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid

5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 53223813) has the molecular formula C13H8FNO5 and a molecular weight of 277.21 g/mol. Its IUPAC name is 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID53223813
Molecular FormulaC13H8FNO5
Molecular Weight277.21 g/mol
Exact Mass277.04
IUPAC Name5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc(-c2c[nH]c(=O)cc2C(=O)O)c1
InChIInChI=1S/C13H8FNO5/c14-8-2-6(1-7(3-8)12(17)18)10-5-15-11(16)4-9(10)13(19)20/h1-5H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyKDGXHVXSFZTXCF-UHFFFAOYSA-N
XLogP1.58
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid (CID 53223813) is 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(F)cc(-c2c[nH]c(=O)cc2C(=O)O)c1.
What is the InChIKey of 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is KDGXHVXSFZTXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO5/c14-8-2-6(1-7(3-8)12(17)18)10-5-15-11(16)4-9(10)13(19)20/h1-5H,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 277.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 53223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).