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

C16H14FNO5 — CID 17339223

IUPACdimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cn(Cc2ccc(F)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C16H14FNO5/c1-22-15(20)12-8-18(7-10-3-5-11(17)6-4-10)9-13(14(12)19)16(21)23-2/h3-6,8-9H,7H2,1-2H3
InChIKeyPTDZBRHGCRKFPX-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.61
Rot. Bonds4

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

dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate (PubChem CID 17339223) has the molecular formula C16H14FNO5 and a molecular weight of 319.29 g/mol. Its IUPAC name is dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate
PubChem CID17339223
Molecular FormulaC16H14FNO5
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Namedimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1cn(Cc2ccc(F)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C16H14FNO5/c1-22-15(20)12-8-18(7-10-3-5-11(17)6-4-10)9-13(14(12)19)16(21)23-2/h3-6,8-9H,7H2,1-2H3
InChIKeyPTDZBRHGCRKFPX-UHFFFAOYSA-N
XLogP1.61
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate (CID 17339223) is dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate is COC(=O)c1cn(Cc2ccc(F)cc2)cc(C(=O)OC)c1=O.
What is the InChIKey of dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate?
The InChIKey is PTDZBRHGCRKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5/c1-22-15(20)12-8-18(7-10-3-5-11(17)6-4-10)9-13(14(12)19)16(21)23-2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate?
dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate has a molecular weight of 319.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[(4-fluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxylate is sourced from PubChem (CID 17339223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).