4-oxo-1H-pyridine-2-carboxylic acid

C6H5NO3 — CID 735149

IUPAC4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)cc[nH]1
InChIInChI=1S/C6H5NO3/c8-4-1-2-7-5(3-4)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKeyMXXLHBCSVDDTIX-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.07
Rot. Bonds1

About 4-oxo-1H-pyridine-2-carboxylic acid

4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 735149) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID735149
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)cc[nH]1
InChIInChI=1S/C6H5NO3/c8-4-1-2-7-5(3-4)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKeyMXXLHBCSVDDTIX-UHFFFAOYSA-N
XLogP0.07
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-oxo-1H-pyridine-2-carboxylic acid (CID 735149) is 4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(=O)cc[nH]1.
What is the InChIKey of 4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is MXXLHBCSVDDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-4-1-2-7-5(3-4)6(9)10/h1-3H,(H,7,8)(H,9,10).
What are the key properties of 4-oxo-1H-pyridine-2-carboxylic acid?
4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 735149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).