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

C6H7NO3 — CID 67975094

IUPAC4-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESO=C1C=CN(C(=O)O)CC1
InChIInChI=1S/C6H7NO3/c8-5-1-3-7(4-2-5)6(9)10/h1,3H,2,4H2,(H,9,10)
InChIKeyAAMOFFGTRVTWMM-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.45
Rot. Bonds

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

4-oxo-2,3-dihydropyridine-1-carboxylic acid (PubChem CID 67975094) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-oxo-2,3-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,3-dihydropyridine-1-carboxylic acid
PubChem CID67975094
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESO=C1C=CN(C(=O)O)CC1
InChIInChI=1S/C6H7NO3/c8-5-1-3-7(4-2-5)6(9)10/h1,3H,2,4H2,(H,9,10)
InChIKeyAAMOFFGTRVTWMM-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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Related Compounds

4-Pyridone-carboxylic acid
CID 154146878
Methyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate
CID 12593370
2,4-Dioxopyridine-1-carboxylic acid
CID 21539096
2-Methyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 68288740
4-Oxo-2,3-dihydropyridine-1-carbaldehyde
CID 88530288
3-Oxo-2,4-dihydropyridine-1-carboxylic acid
CID 89239626
2-Ethenyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 123915700

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The IUPAC name of 4-oxo-2,3-dihydropyridine-1-carboxylic acid (CID 67975094) is 4-oxo-2,3-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 4-oxo-2,3-dihydropyridine-1-carboxylic acid is O=C1C=CN(C(=O)O)CC1.
What is the InChIKey of 4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The InChIKey is AAMOFFGTRVTWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-1-3-7(4-2-5)6(9)10/h1,3H,2,4H2,(H,9,10).
What are the key properties of 4-oxo-2,3-dihydropyridine-1-carboxylic acid?
4-oxo-2,3-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 4-oxo-2,3-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 67975094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).