3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid

C6H7NO3 — CID 70630704

IUPAC3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1NCC=CC1=O
InChIInChI=1S/C6H7NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-2,5,7H,3H2,(H,9,10)
InChIKeyJVUKNLSXZLKVOW-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.83
Rot. Bonds1

About 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid

3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid (PubChem CID 70630704) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid
PubChem CID70630704
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1NCC=CC1=O
InChIInChI=1S/C6H7NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-2,5,7H,3H2,(H,9,10)
InChIKeyJVUKNLSXZLKVOW-UHFFFAOYSA-N
XLogP-0.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid (CID 70630704) is 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid is O=C(O)C1NCC=CC1=O.
What is the InChIKey of 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid?
The InChIKey is JVUKNLSXZLKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-2,5,7H,3H2,(H,9,10).
What are the key properties of 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid?
3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,6-dihydro-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 70630704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).