ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate

C8H8ClNO3 — CID 46311506

IUPACethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc[nH]c(=O)c1Cl
InChIInChI=1S/C8H8ClNO3/c1-2-13-8(12)5-3-4-10-7(11)6(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyJSWVYTKRQAHONO-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.21
Rot. Bonds2

About ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate

ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 46311506) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate
PubChem CID46311506
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Nameethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc[nH]c(=O)c1Cl
InChIInChI=1S/C8H8ClNO3/c1-2-13-8(12)5-3-4-10-7(11)6(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyJSWVYTKRQAHONO-UHFFFAOYSA-N
XLogP1.21
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate (CID 46311506) is ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc[nH]c(=O)c1Cl.
What is the InChIKey of ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is JSWVYTKRQAHONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-2-13-8(12)5-3-4-10-7(11)6(5)9/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate?
ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 201.61 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 46311506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).