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

C23H21F2NO4 — CID 2171479

IUPACdiethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C23H21F2NO4/c1-3-29-22(27)19-13-26(18-11-9-17(25)10-12-18)14-20(23(28)30-4-2)21(19)15-5-7-16(24)8-6-15/h5-14,21H,3-4H2,1-2H3
InChIKeyPEPJBKKLPOJLGL-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.46
Rot. Bonds6

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

diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 2171479) has the molecular formula C23H21F2NO4 and a molecular weight of 413.42 g/mol. Its IUPAC name is diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID2171479
Molecular FormulaC23H21F2NO4
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC Namediethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C23H21F2NO4/c1-3-29-22(27)19-13-26(18-11-9-17(25)10-12-18)14-20(23(28)30-4-2)21(19)15-5-7-16(24)8-6-15/h5-14,21H,3-4H2,1-2H3
InChIKeyPEPJBKKLPOJLGL-UHFFFAOYSA-N
XLogP4.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1073352
diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229
diethyl 1-(4-fluorophenyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
CID 2059915
diethyl 4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1039509
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
diethyl 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 21373629
diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256229
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 71653160
dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1261229

Frequently Asked Questions

What is the IUPAC name of diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate (CID 2171479) is diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1.
What is the InChIKey of diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is PEPJBKKLPOJLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO4/c1-3-29-22(27)19-13-26(18-11-9-17(25)10-12-18)14-20(23(28)30-4-2)21(19)15-5-7-16(24)8-6-15/h5-14,21H,3-4H2,1-2H3.
What are the key properties of diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 413.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2171479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).