ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C8H8FNO4 — CID 135741598

IUPACethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(=O)[nH]c1O
InChIInChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-5(9)7(12)10-6(4)11/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyAQZBIKIXQXSSFU-UHFFFAOYSA-N
MW201.15 g/mol
LogP0.40
Rot. Bonds2

About ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 135741598) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID135741598
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Nameethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(=O)[nH]c1O
InChIInChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-5(9)7(12)10-6(4)11/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyAQZBIKIXQXSSFU-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 4,5-difluoro-2-hydroxybenzoate
CID 18452909
diethyl 2-hydroxy-6-sulfanylidene-1H-pyridine-3,5-dicarboxylate
CID 135439319
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 71434385
propyl 5-fluoro-2-(methylamino)-6-oxo-1H-pyridine-3-carboxylate
CID 54031994
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
ethyl 3-fluoro-2,6-dioxo-9-(2,3,4,5,6-pentafluorophenyl)-1H-pyrido[1,2-a]pyrimidine-7-carboxylate
CID 10549923

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 135741598) is ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(F)c(=O)[nH]c1O.
What is the InChIKey of ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AQZBIKIXQXSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-5(9)7(12)10-6(4)11/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-fluoro-2-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-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 135741598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).