diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate

C18H18FNO5 — CID 142563798

IUPACdiethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cn(C)c(C(=O)OCC)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C18H18FNO5/c1-4-24-17(22)13-10-20(3)15(18(23)25-5-2)14(16(13)21)11-6-8-12(19)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyKBAZKYJZBAUSCS-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.54
Rot. Bonds5

About diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate

diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate (PubChem CID 142563798) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
PubChem CID142563798
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Namediethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cn(C)c(C(=O)OCC)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C18H18FNO5/c1-4-24-17(22)13-10-20(3)15(18(23)25-5-2)14(16(13)21)11-6-8-12(19)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyKBAZKYJZBAUSCS-UHFFFAOYSA-N
XLogP2.54
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988452
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 4-cyano-1-methyl-3-(4-methylphenyl)pyrrole-2-carboxylate;propane
CID 143040541
ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
CID 10546793
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
5-(4-fluorophenyl)-6-(methoxymethyl)-1-methyl-4-oxopyridine-3-carboxamide
CID 175771000
ethyl 4-(4-fluorophenyl)-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxylate
CID 142563754
ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate
CID 67068218
2-(5-ethoxycarbonyl-4-fluoro-1-methylpyrrol-3-yl)-2-oxoacetic acid
CID 121409825
ethyl 5-(4-fluorophenyl)-1-methyl-4-oxopyridazine-3-carboxylate
CID 175918303
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate?
The IUPAC name of diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate (CID 142563798) is diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate?
The canonical SMILES for diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate is CCOC(=O)c1cn(C)c(C(=O)OCC)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate?
The InChIKey is KBAZKYJZBAUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-4-24-17(22)13-10-20(3)15(18(23)25-5-2)14(16(13)21)11-6-8-12(19)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate?
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate has a molecular weight of 347.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate is sourced from PubChem (CID 142563798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).