1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid

C13H9NO5 — CID 59610578

IUPAC1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc(C(=O)O)cc2=O)cc1
InChIInChI=1S/C13H9NO5/c15-11-7-9(13(18)19)5-6-14(11)10-3-1-8(2-4-10)12(16)17/h1-7H,(H,16,17)(H,18,19)
InChIKeyQRMIWCPVDQEXGD-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.23
Rot. Bonds3

About 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid

1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 59610578) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid
PubChem CID59610578
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc(C(=O)O)cc2=O)cc1
InChIInChI=1S/C13H9NO5/c15-11-7-9(13(18)19)5-6-14(11)10-3-1-8(2-4-10)12(16)17/h1-7H,(H,16,17)(H,18,19)
InChIKeyQRMIWCPVDQEXGD-UHFFFAOYSA-N
XLogP1.23
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid (CID 59610578) is 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccc(-n2ccc(C(=O)O)cc2=O)cc1.
What is the InChIKey of 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is QRMIWCPVDQEXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-11-7-9(13(18)19)5-6-14(11)10-3-1-8(2-4-10)12(16)17/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid?
1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 59610578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).