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

C15H12FNO5 — CID 17339245

IUPACdimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cn(-c2ccc(F)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C15H12FNO5/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
InChIKeyCFDHTCGXNHJIOS-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.55
Rot. Bonds3

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

dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate (PubChem CID 17339245) has the molecular formula C15H12FNO5 and a molecular weight of 305.26 g/mol. Its IUPAC name is dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate
PubChem CID17339245
Molecular FormulaC15H12FNO5
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Namedimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cn(-c2ccc(F)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C15H12FNO5/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
InChIKeyCFDHTCGXNHJIOS-UHFFFAOYSA-N
XLogP1.55
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 2-[(3-fluorophenylamino)methylidene]malonate
CID 102340699
methyl 1-(4-fluorophenyl)-5-methyl-3-oxo-2H-pyrrole-4-carboxylate
CID 740853
Dimethyl 2-[(4-fluorophenylamino)methylidene]malonate
CID 129840558
Dimethyl 2-[(2-fluorophenylamino)methylidene]malonate
CID 129840628
1-(4-Fluorophenyl)-6-methyl-4-oxo-1,4-dihydronicotinic acid
CID 14027755
Dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate
CID 17339223
diethyl 2-[(N-ethyl-3,4-difluoroanilino)methylidene]propanedioate
CID 19926856
Methyl 1-(4-fluorophenyl)-6-methyl-4-oxo-1,4-dihydronicotinate
CID 20183848
Diethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515589
Diethyl 1-(2-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515606
Diethyl 1-(3-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515614
diethyl 2-[(2-fluoro-N-methylanilino)methylidene]propanedioate
CID 69992266

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate (CID 17339245) is dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate is COC(=O)c1cn(-c2ccc(F)cc2)cc(C(=O)OC)c1=O.
What is the InChIKey of dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate?
The InChIKey is CFDHTCGXNHJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO5/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-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate?
dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate has a molecular weight of 305.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-fluorophenyl)-4-oxopyridine-3,5-dicarboxylate is sourced from PubChem (CID 17339245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).