ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C8H8ClNO4 — CID 54731423

IUPACethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(=O)[nH]c1Cl
InChIInChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(11)3-5(12)10-7(6)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyXAMKYZWQQAAKRH-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.91
Rot. Bonds2

About ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54731423) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID54731423
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Nameethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(=O)[nH]c1Cl
InChIInChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(11)3-5(12)10-7(6)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyXAMKYZWQQAAKRH-UHFFFAOYSA-N
XLogP0.91
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-butan-2-yl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 123616005
ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 164676176
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carboxylate
CID 2385893
ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
CID 13086384
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 71434385
ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
CID 4772724
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 54707980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 54731423) is ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)cc(=O)[nH]c1Cl.
What is the InChIKey of ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XAMKYZWQQAAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(11)3-5(12)10-7(6)9/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 217.61 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54731423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).