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

C7H5NO5 — CID 11412755

IUPAC6-oxo-1H-pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)[nH]c(=O)c1
InChIInChI=1S/C7H5NO5/c9-5-2-3(6(10)11)1-4(8-5)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeySSQWEWKHIWYYSE-UHFFFAOYSA-N
MW183.12 g/mol
LogP-0.23
Rot. Bonds2

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

6-oxo-1H-pyridine-2,4-dicarboxylic acid (PubChem CID 11412755) has the molecular formula C7H5NO5 and a molecular weight of 183.12 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name6-oxo-1H-pyridine-2,4-dicarboxylic acid
PubChem CID11412755
Molecular FormulaC7H5NO5
Molecular Weight183.12 g/mol
Exact Mass183.02
IUPAC Name6-oxo-1H-pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)[nH]c(=O)c1
InChIInChI=1S/C7H5NO5/c9-5-2-3(6(10)11)1-4(8-5)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeySSQWEWKHIWYYSE-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

6-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 276660
6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 113444
3-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 54725332
6-Hydroxyquinolinic acid
CID 348131
2-Hydroxy-6-(propan-2-yl)pyridine-4-carboxylic acid
CID 71327507
6-Hydroxy-4-methylpyridine-2-carboxylic acid
CID 820395
2-Tert-butyl-6-hydroxypyridine-4-carboxylic acid
CID 71668584
6-Hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 72215673
2,6-Dicarboxypicoline
CID 129859257
2-Hydroxy-6-(trifluoromethyl)isonicotinic acid
CID 72212956
5-Fluoro-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 82412213
5-(3-Carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylic acid
CID 135476774

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-2,4-dicarboxylic acid?
The IUPAC name of 6-oxo-1H-pyridine-2,4-dicarboxylic acid (CID 11412755) is 6-oxo-1H-pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 6-oxo-1H-pyridine-2,4-dicarboxylic acid?
The canonical SMILES for 6-oxo-1H-pyridine-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)[nH]c(=O)c1.
What is the InChIKey of 6-oxo-1H-pyridine-2,4-dicarboxylic acid?
The InChIKey is SSQWEWKHIWYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5/c9-5-2-3(6(10)11)1-4(8-5)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 6-oxo-1H-pyridine-2,4-dicarboxylic acid?
6-oxo-1H-pyridine-2,4-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 6-oxo-1H-pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 11412755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).