3-oxo-2,4-dihydropyridine-1-carboxylic acid

C6H7NO3 — CID 89239626

IUPAC3-oxo-2,4-dihydropyridine-1-carboxylic acid
SMILESO=C1CC=CN(C(=O)O)C1
InChIInChI=1S/C6H7NO3/c8-5-2-1-3-7(4-5)6(9)10/h1,3H,2,4H2,(H,9,10)
InChIKeyNZQHRJMRKLCABM-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.45
Rot. Bonds

About 3-oxo-2,4-dihydropyridine-1-carboxylic acid

3-oxo-2,4-dihydropyridine-1-carboxylic acid (PubChem CID 89239626) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-oxo-2,4-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,4-dihydropyridine-1-carboxylic acid
PubChem CID89239626
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-oxo-2,4-dihydropyridine-1-carboxylic acid
SMILESO=C1CC=CN(C(=O)O)C1
InChIInChI=1S/C6H7NO3/c8-5-2-1-3-7(4-5)6(9)10/h1,3H,2,4H2,(H,9,10)
InChIKeyNZQHRJMRKLCABM-UHFFFAOYSA-N
XLogP0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,4-dihydropyridine-1-carboxylic acid?
The IUPAC name of 3-oxo-2,4-dihydropyridine-1-carboxylic acid (CID 89239626) is 3-oxo-2,4-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 3-oxo-2,4-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 3-oxo-2,4-dihydropyridine-1-carboxylic acid is O=C1CC=CN(C(=O)O)C1.
What is the InChIKey of 3-oxo-2,4-dihydropyridine-1-carboxylic acid?
The InChIKey is NZQHRJMRKLCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-2-1-3-7(4-5)6(9)10/h1,3H,2,4H2,(H,9,10).
What are the key properties of 3-oxo-2,4-dihydropyridine-1-carboxylic acid?
3-oxo-2,4-dihydropyridine-1-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,4-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 89239626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).