ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate

C8H11NO4 — CID 54692116

IUPACethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)NCC1
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyZEAWXPIFCQTOLY-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.12
Rot. Bonds2

About ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate

ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate (PubChem CID 54692116) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
PubChem CID54692116
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)NCC1
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyZEAWXPIFCQTOLY-UHFFFAOYSA-N
XLogP-0.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
CID 57456898
ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
CID 71682289
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one
CID 23355437
ethyl 1-[2-(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 102340354
5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one
CID 57266371
ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 102424167
ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
CID 54708306
ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 71745342
ethyl 2,3-dioxopiperazine-1-carboxylate
CID 130136555

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate (CID 54692116) is ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate is CCOC(=O)C1=C(O)C(=O)NCC1.
What is the InChIKey of ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
The InChIKey is ZEAWXPIFCQTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h10H,2-4H2,1H3,(H,9,11).
What are the key properties of ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate?
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate is sourced from PubChem (CID 54692116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).