4-oxo-1H-pyridine-2,6-dicarboxylic acid

C7H5NO5 — CID 8743

IUPAC4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyXTLJJHGQACAZMS-UHFFFAOYSA-N
MW183.12 g/mol
LogP-0.23
Rot. Bonds2

About 4-oxo-1H-pyridine-2,6-dicarboxylic acid

4-oxo-1H-pyridine-2,6-dicarboxylic acid (PubChem CID 8743) has the molecular formula C7H5NO5 and a molecular weight of 183.12 g/mol. Its IUPAC name is 4-oxo-1H-pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-oxo-1H-pyridine-2,6-dicarboxylic acid
PubChem CID8743
Molecular FormulaC7H5NO5
Molecular Weight183.12 g/mol
Exact Mass183.02
IUPAC Name4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyXTLJJHGQACAZMS-UHFFFAOYSA-N
XLogP-0.23
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 130423922
4-Hydroxy-2-pyridinecarboxylic Acid
CID 735149
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate
CID 12302905
6-Chloro-4-hydroxy-2-pyridinecarboxylic acid
CID 72212276
4-Sulfanylpyridine-2,6-dicarboxylic acid
CID 129925430
6-Amino-4-hydroxypyridine-2-carboxylic acid
CID 57562662
6-Bromo-4-hydroxypicolinic acid
CID 72215574
Chelidamate
CID 5250420
6-Methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 71299974
5-fluoro-4-oxo-1H-pyridine-2-carboxylic acid
CID 129918821
2-Pyridinecarboxylic acid, 4-hydroxy-5,6-dimethyl-
CID 321755
1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
CID 351213

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-oxo-1H-pyridine-2,6-dicarboxylic acid (CID 8743) is 4-oxo-1H-pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-oxo-1H-pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(=O)cc(C(=O)O)[nH]1.
What is the InChIKey of 4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The InChIKey is XTLJJHGQACAZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 4-oxo-1H-pyridine-2,6-dicarboxylic acid?
4-oxo-1H-pyridine-2,6-dicarboxylic acid has a molecular weight of 183.12 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 8743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).