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

C6H5NO3 — CID 57367129

IUPAC3-oxo-2H-pyridine-5-carboxylic acid
SMILESO=C1C=C(C(=O)O)C=NC1
InChIInChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-2H,3H2,(H,9,10)
InChIKeyHDECLDDSGZHXSQ-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.35
Rot. Bonds1

About 3-oxo-2H-pyridine-5-carboxylic acid

3-oxo-2H-pyridine-5-carboxylic acid (PubChem CID 57367129) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 3-oxo-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2H-pyridine-5-carboxylic acid
PubChem CID57367129
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name3-oxo-2H-pyridine-5-carboxylic acid
SMILESO=C1C=C(C(=O)O)C=NC1
InChIInChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-2H,3H2,(H,9,10)
InChIKeyHDECLDDSGZHXSQ-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2H-pyridine-5-carboxylic acid?
The IUPAC name of 3-oxo-2H-pyridine-5-carboxylic acid (CID 57367129) is 3-oxo-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 3-oxo-2H-pyridine-5-carboxylic acid is O=C1C=C(C(=O)O)C=NC1.
What is the InChIKey of 3-oxo-2H-pyridine-5-carboxylic acid?
The InChIKey is HDECLDDSGZHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-2H,3H2,(H,9,10).
What are the key properties of 3-oxo-2H-pyridine-5-carboxylic acid?
3-oxo-2H-pyridine-5-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 57367129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).