ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate

C16H14N2O4 — CID 135558737

IUPACethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)n(-c2cccc(C)c2)c1O
InChIInChI=1S/C16H14N2O4/c1-3-22-16(21)13-8-11(9-17)14(19)18(15(13)20)12-6-4-5-10(2)7-12/h4-8,20H,3H2,1-2H3
InChIKeyQGXGAYHVIXMACU-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.90
Rot. Bonds3

About ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate

ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate (PubChem CID 135558737) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate
PubChem CID135558737
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Nameethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)n(-c2cccc(C)c2)c1O
InChIInChI=1S/C16H14N2O4/c1-3-22-16(21)13-8-11(9-17)14(19)18(15(13)20)12-6-4-5-10(2)7-12/h4-8,20H,3H2,1-2H3
InChIKeyQGXGAYHVIXMACU-UHFFFAOYSA-N
XLogP1.90
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,5-diamino-2-cyanobenzoate
CID 134651440
ethyl 4-amino-5-cyano-2-hydroxy-3-methylbenzoate
CID 2775029
ethyl 2-(4-ethoxycarbonylphenyl)-3-hydroxy-1-oxoisoquinoline-4-carboxylate
CID 135503877
ethyl 4-cyano-2,3-dihydroxybenzoate
CID 131533373
ethyl 2-(aminomethyl)-5-cyano-4-ethylbenzoate
CID 134650246
ethyl 5-cyano-2-(hydroxymethyl)-4-methylbenzoate
CID 134633601
ethyl 4-cyano-3-hydroxy-2-iodobenzoate
CID 131475258
ethyl 2-chloro-5-[[6-hydroxy-1-(3-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 4996794
ethyl 7-cyano-1-benzofuran-3-carboxylate
CID 169234926
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
ethyl 4-cyano-2-hydroxy-3-methylbenzoate
CID 131505282
ethyl 3,5-dicyano-2,4-dimethylbenzoate
CID 156825800

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate (CID 135558737) is ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(=O)n(-c2cccc(C)c2)c1O.
What is the InChIKey of ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is QGXGAYHVIXMACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-22-16(21)13-8-11(9-17)14(19)18(15(13)20)12-6-4-5-10(2)7-12/h4-8,20H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate?
ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-hydroxy-1-(3-methylphenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 135558737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).