2-oxo-3H-pyridine-4-carboxylic acid

C6H5NO3 — CID 18524579

IUPAC2-oxo-3H-pyridine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)=CC=N1
InChIInChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-2H,3H2,(H,9,10)
InChIKeySLWKUVKKTFKILI-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.00
Rot. Bonds1

About 2-oxo-3H-pyridine-4-carboxylic acid

2-oxo-3H-pyridine-4-carboxylic acid (PubChem CID 18524579) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-oxo-3H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3H-pyridine-4-carboxylic acid
PubChem CID18524579
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-oxo-3H-pyridine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)=CC=N1
InChIInChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-2H,3H2,(H,9,10)
InChIKeySLWKUVKKTFKILI-UHFFFAOYSA-N
XLogP-0.00
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-3H-pyridine-4-carboxylic acid (CID 18524579) is 2-oxo-3H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-3H-pyridine-4-carboxylic acid is O=C1CC(C(=O)O)=CC=N1.
What is the InChIKey of 2-oxo-3H-pyridine-4-carboxylic acid?
The InChIKey is SLWKUVKKTFKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-2H,3H2,(H,9,10).
What are the key properties of 2-oxo-3H-pyridine-4-carboxylic acid?
2-oxo-3H-pyridine-4-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-pyridine-4-carboxylic acid is sourced from PubChem (CID 18524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).