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

C23H22FNO4 — CID 2233361

IUPACdiethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C23H22FNO4/c1-3-28-22(26)19-14-25(18-8-6-5-7-9-18)15-20(23(27)29-4-2)21(19)16-10-12-17(24)13-11-16/h5-15,21H,3-4H2,1-2H3
InChIKeyULHPOTZMKCALTM-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.32
Rot. Bonds6

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

diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 2233361) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID2233361
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Namediethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C23H22FNO4/c1-3-28-22(26)19-14-25(18-8-6-5-7-9-18)15-20(23(27)29-4-2)21(19)16-10-12-17(24)13-11-16/h5-15,21H,3-4H2,1-2H3
InChIKeyULHPOTZMKCALTM-UHFFFAOYSA-N
XLogP4.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1073352
diethyl 1-(4-fluorophenyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
CID 2059915
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 71653160
diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229
methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 132543701
diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 16738818
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1255715
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
diethyl 4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1039509
ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408062
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate (CID 2233361) is diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccc(F)cc1.
What is the InChIKey of diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is ULHPOTZMKCALTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-3-28-22(26)19-14-25(18-8-6-5-7-9-18)15-20(23(27)29-4-2)21(19)16-10-12-17(24)13-11-16/h5-15,21H,3-4H2,1-2H3.
What are the key properties of diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 395.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2233361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).