ethyl 2-oxo-3H-pyridine-4-carboxylate

C8H9NO3 — CID 53418804

IUPACethyl 2-oxo-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC=NC(=O)C1
InChIInChI=1S/C8H9NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h3-4H,2,5H2,1H3
InChIKeyJREJLDUSNVGFPE-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.48
Rot. Bonds2

About ethyl 2-oxo-3H-pyridine-4-carboxylate

ethyl 2-oxo-3H-pyridine-4-carboxylate (PubChem CID 53418804) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is ethyl 2-oxo-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3H-pyridine-4-carboxylate
PubChem CID53418804
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameethyl 2-oxo-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC=NC(=O)C1
InChIInChI=1S/C8H9NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h3-4H,2,5H2,1H3
InChIKeyJREJLDUSNVGFPE-UHFFFAOYSA-N
XLogP0.48
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-3H-pyridine-5-carboxylate
CID 57196018
Methyl 6-methyl-2,3-dihydropyridine-4-carboxylate
CID 59918596
ethyl 3H-pyridin-1-ium-4-carboxylate
CID 90965285
Methyl 2,3-dihydropyridine-4-carboxylate
CID 148624416
ethyl 3-methoxy-2-oxo-3H-pyridine-4-carboxylate
CID 78166571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3H-pyridine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3H-pyridine-4-carboxylate (CID 53418804) is ethyl 2-oxo-3H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3H-pyridine-4-carboxylate is CCOC(=O)C1=CC=NC(=O)C1.
What is the InChIKey of ethyl 2-oxo-3H-pyridine-4-carboxylate?
The InChIKey is JREJLDUSNVGFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-oxo-3H-pyridine-4-carboxylate?
ethyl 2-oxo-3H-pyridine-4-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3H-pyridine-4-carboxylate is sourced from PubChem (CID 53418804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).