4-oxopyridine-1-carboxylic acid

C6H5NO3 — CID 154146878

IUPAC4-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1ccc(=O)cc1
InChIInChI=1S/C6H5NO3/c8-5-1-3-7(4-2-5)6(9)10/h1-4H,(H,9,10)
InChIKeyIRBPUMPQBNZOEL-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.37
Rot. Bonds

About 4-oxopyridine-1-carboxylic acid

4-oxopyridine-1-carboxylic acid (PubChem CID 154146878) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 4-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxopyridine-1-carboxylic acid
PubChem CID154146878
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name4-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1ccc(=O)cc1
InChIInChI=1S/C6H5NO3/c8-5-1-3-7(4-2-5)6(9)10/h1-4H,(H,9,10)
InChIKeyIRBPUMPQBNZOEL-UHFFFAOYSA-N
XLogP0.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxopyridine-1-carboxylic acid?
The IUPAC name of 4-oxopyridine-1-carboxylic acid (CID 154146878) is 4-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 4-oxopyridine-1-carboxylic acid?
The canonical SMILES for 4-oxopyridine-1-carboxylic acid is O=C(O)n1ccc(=O)cc1.
What is the InChIKey of 4-oxopyridine-1-carboxylic acid?
The InChIKey is IRBPUMPQBNZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-5-1-3-7(4-2-5)6(9)10/h1-4H,(H,9,10).
What are the key properties of 4-oxopyridine-1-carboxylic acid?
4-oxopyridine-1-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 154146878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).