dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate

C15H12ClNO5 — CID 17339243

IUPACdimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C15H12ClNO5/c1-21-14(19)11-7-17(10-5-3-9(16)4-6-10)8-12(13(11)18)15(20)22-2/h3-8H,1-2H3
InChIKeyPAIZTKRZLOGFKB-UHFFFAOYSA-N
MW321.72 g/mol
LogP2.06
Rot. Bonds3

About dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate

dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate (PubChem CID 17339243) has the molecular formula C15H12ClNO5 and a molecular weight of 321.72 g/mol. Its IUPAC name is dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
PubChem CID17339243
Molecular FormulaC15H12ClNO5
Molecular Weight321.72 g/mol
Exact Mass321.04
IUPAC Namedimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C15H12ClNO5/c1-21-14(19)11-7-17(10-5-3-9(16)4-6-10)8-12(13(11)18)15(20)22-2/h3-8H,1-2H3
InChIKeyPAIZTKRZLOGFKB-UHFFFAOYSA-N
XLogP2.06
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 1-(2-chloro-3-pyridinyl)-4-oxopyridine-3,5-dicarboxylate
CID 5303504
methyl 5-(4-chlorophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495853
methyl 4-[3-(4-chlorophenyl)-4-cyanopyrrol-1-yl]benzoate
CID 58003631
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
1-(4-chlorophenyl)-3-methylpyrazole-4-carbaldehyde;methyl 1-(4-chlorophenyl)-3-methylpyrazole-4-carboxylate
CID 159699408
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
CID 101254875
methyl 5-(3-chlorophenyl)-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496218
dimethyl 1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339213
methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 69345221
dimethyl 2-(4-chlorophenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 3850963
methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 14399715
methyl (2R)-1-(4-chlorophenyl)-2,3-dimethyl-2H-azete-4-carboxylate
CID 158572071

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate (CID 17339243) is dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate is COC(=O)c1cn(-c2ccc(Cl)cc2)cc(C(=O)OC)c1=O.
What is the InChIKey of dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate?
The InChIKey is PAIZTKRZLOGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO5/c1-21-14(19)11-7-17(10-5-3-9(16)4-6-10)8-12(13(11)18)15(20)22-2/h3-8H,1-2H3.
What are the key properties of dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate?
dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate has a molecular weight of 321.72 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate is sourced from PubChem (CID 17339243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).