ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate

C8H8FNO3 — CID 46311367

IUPACethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]cc1F
InChIInChI=1S/C8H8FNO3/c1-2-13-8(12)5-3-7(11)10-4-6(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyWDYKXRGTHVHWKK-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.69
Rot. Bonds2

About ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate

ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 46311367) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate
PubChem CID46311367
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Nameethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]cc1F
InChIInChI=1S/C8H8FNO3/c1-2-13-8(12)5-3-7(11)10-4-6(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyWDYKXRGTHVHWKK-UHFFFAOYSA-N
XLogP0.69
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate (CID 46311367) is ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]cc1F.
What is the InChIKey of ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is WDYKXRGTHVHWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-2-13-8(12)5-3-7(11)10-4-6(5)9/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate?
ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 185.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 46311367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).