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

C6H5NO3 — CID 151447835

IUPAC5-oxo-4H-pyridine-2-carboxylic acid
SMILESO=C1C=NC(C(=O)O)=CC1
InChIInChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h2-3H,1H2,(H,9,10)
InChIKeyPFWHNMDSEQGBLA-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.00
Rot. Bonds1

About 5-oxo-4H-pyridine-2-carboxylic acid

5-oxo-4H-pyridine-2-carboxylic acid (PubChem CID 151447835) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-oxo-4H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4H-pyridine-2-carboxylic acid
PubChem CID151447835
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name5-oxo-4H-pyridine-2-carboxylic acid
SMILESO=C1C=NC(C(=O)O)=CC1
InChIInChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h2-3H,1H2,(H,9,10)
InChIKeyPFWHNMDSEQGBLA-UHFFFAOYSA-N
XLogP-0.00
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4H-pyridine-2-carboxylic acid?
The IUPAC name of 5-oxo-4H-pyridine-2-carboxylic acid (CID 151447835) is 5-oxo-4H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-4H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-oxo-4H-pyridine-2-carboxylic acid is O=C1C=NC(C(=O)O)=CC1.
What is the InChIKey of 5-oxo-4H-pyridine-2-carboxylic acid?
The InChIKey is PFWHNMDSEQGBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h2-3H,1H2,(H,9,10).
What are the key properties of 5-oxo-4H-pyridine-2-carboxylic acid?
5-oxo-4H-pyridine-2-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4H-pyridine-2-carboxylic acid is sourced from PubChem (CID 151447835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).