diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate

C25H26FNO6 — CID 1256072

IUPACdiethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1OC
InChIInChI=1S/C25H26FNO6/c1-5-32-24(28)20-14-27(17-9-7-16(26)8-10-17)15-21(25(29)33-6-2)23(20)19-12-11-18(30-3)13-22(19)31-4/h7-15,23H,5-6H2,1-4H3
InChIKeyDGYVCDYAKJKAKK-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.34
Rot. Bonds8

About diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate

diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1256072) has the molecular formula C25H26FNO6 and a molecular weight of 455.48 g/mol. Its IUPAC name is diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1256072
Molecular FormulaC25H26FNO6
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC Namediethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1OC
InChIInChI=1S/C25H26FNO6/c1-5-32-24(28)20-14-27(17-9-7-16(26)8-10-17)15-21(25(29)33-6-2)23(20)19-12-11-18(30-3)13-22(19)31-4/h7-15,23H,5-6H2,1-4H3
InChIKeyDGYVCDYAKJKAKK-UHFFFAOYSA-N
XLogP4.34
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate (CID 1256072) is diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1OC.
What is the InChIKey of diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is DGYVCDYAKJKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO6/c1-5-32-24(28)20-14-27(17-9-7-16(26)8-10-17)15-21(25(29)33-6-2)23(20)19-12-11-18(30-3)13-22(19)31-4/h7-15,23H,5-6H2,1-4H3.
What are the key properties of diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 455.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1256072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).