ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C8H8FNO4 — CID 57360922

IUPACethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c(F)c1O
InChIInChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyKRPFLIYEGCRSFO-UHFFFAOYSA-N
MW201.15 g/mol
LogP0.40
Rot. Bonds2

About ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 57360922) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID57360922
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Nameethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c(F)c1O
InChIInChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyKRPFLIYEGCRSFO-UHFFFAOYSA-N
XLogP0.40
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxylate
CID 133106172
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethyl 5-acetyl-4-methyl-1H-pyrrole-3-carboxylate
CID 44718470
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
CID 22897227
ethyl 3,4-difluoro-1H-pyrrole-2-carboxylate
CID 164851464
(3S)-3-(5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 99989895
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746
diethyl 2-ethyl-1H-pyrrole-3,4-dicarboxylate
CID 121015698

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 57360922) is ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c[nH]c(=O)c(F)c1O.
What is the InChIKey of ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KRPFLIYEGCRSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 201.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 57360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).