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

C8H9NO4 — CID 54697099

IUPACethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc[nH]c(=O)c1O
InChIInChI=1S/C8H9NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h3-4,10H,2H2,1H3,(H,9,11)
InChIKeySMGWTFKTEJPFCA-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.26
Rot. Bonds2

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

ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 54697099) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
PubChem CID54697099
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Nameethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc[nH]c(=O)c1O
InChIInChI=1S/C8H9NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h3-4,10H,2H2,1H3,(H,9,11)
InChIKeySMGWTFKTEJPFCA-UHFFFAOYSA-N
XLogP0.26
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate
CID 151936228
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
3-hydroxy-2-oxo-1H-pyridine-4-carboxamide
CID 67593311
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
ethyl 2-undecyl-1H-pyrrole-3-carboxylate
CID 11449260
ethyl 2-isothiocyanato-1H-pyrrole-3-carboxylate
CID 86643622
ethyl 7,8-dihydroxy-1-oxo-2H-[1]benzofuro[3,2-c]pyridine-9-carboxylate
CID 70822687
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate (CID 54697099) is ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc[nH]c(=O)c1O.
What is the InChIKey of ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is SMGWTFKTEJPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h3-4,10H,2H2,1H3,(H,9,11).
What are the key properties of ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 183.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 54697099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).