2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid

C13H9NO5 — CID 4135202

IUPAC2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C13H9NO5/c15-11-9(13(18)19)6-8(12(16)17)10(14-11)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyWALJHOHMSNJOMS-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.44
Rot. Bonds3

About 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid

2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 4135202) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid
PubChem CID4135202
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C13H9NO5/c15-11-9(13(18)19)6-8(12(16)17)10(14-11)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyWALJHOHMSNJOMS-UHFFFAOYSA-N
XLogP1.44
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid (CID 4135202) is 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is WALJHOHMSNJOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-11-9(13(18)19)6-8(12(16)17)10(14-11)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid?
2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 4135202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).