2-oxopyridine-1-carboxylic acid

C6H5NO3 — CID 21493811

IUPAC2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1ccccc1=O
InChIInChI=1S/C6H5NO3/c8-5-3-1-2-4-7(5)6(9)10/h1-4H,(H,9,10)
InChIKeyYSLIPUSJNFIFAB-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.37
Rot. Bonds

About 2-oxopyridine-1-carboxylic acid

2-oxopyridine-1-carboxylic acid (PubChem CID 21493811) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-oxopyridine-1-carboxylic acid
PubChem CID21493811
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1ccccc1=O
InChIInChI=1S/C6H5NO3/c8-5-3-1-2-4-7(5)6(9)10/h1-4H,(H,9,10)
InChIKeyYSLIPUSJNFIFAB-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 2-oxopyridine-1-carboxylic acid?
The IUPAC name of 2-oxopyridine-1-carboxylic acid (CID 21493811) is 2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 2-oxopyridine-1-carboxylic acid is O=C(O)n1ccccc1=O.
What is the InChIKey of 2-oxopyridine-1-carboxylic acid?
The InChIKey is YSLIPUSJNFIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-5-3-1-2-4-7(5)6(9)10/h1-4H,(H,9,10).
What are the key properties of 2-oxopyridine-1-carboxylic acid?
2-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 2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 21493811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).