2-oxo-1H-pyridine-3,4-dicarboxylic acid

C7H5NO5 — CID 82407435

IUPAC2-oxo-1H-pyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1cc[nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H5NO5/c9-5-4(7(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyLHHJKWKGCRNAHT-UHFFFAOYSA-N
MW183.12 g/mol
LogP-0.23
Rot. Bonds2

About 2-oxo-1H-pyridine-3,4-dicarboxylic acid

2-oxo-1H-pyridine-3,4-dicarboxylic acid (PubChem CID 82407435) has the molecular formula C7H5NO5 and a molecular weight of 183.12 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3,4-dicarboxylic acid
PubChem CID82407435
Molecular FormulaC7H5NO5
Molecular Weight183.12 g/mol
Exact Mass183.02
IUPAC Name2-oxo-1H-pyridine-3,4-dicarboxylic acid
SMILESO=C(O)c1cc[nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H5NO5/c9-5-4(7(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyLHHJKWKGCRNAHT-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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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3,4-dicarboxylic acid?
The IUPAC name of 2-oxo-1H-pyridine-3,4-dicarboxylic acid (CID 82407435) is 2-oxo-1H-pyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 2-oxo-1H-pyridine-3,4-dicarboxylic acid?
The canonical SMILES for 2-oxo-1H-pyridine-3,4-dicarboxylic acid is O=C(O)c1cc[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-oxo-1H-pyridine-3,4-dicarboxylic acid?
The InChIKey is LHHJKWKGCRNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5/c9-5-4(7(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-oxo-1H-pyridine-3,4-dicarboxylic acid?
2-oxo-1H-pyridine-3,4-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 2-oxo-1H-pyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 82407435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).