diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate

C24H23ClFNO4 — CID 4131861

IUPACdiethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1
InChIInChI=1S/C24H23ClFNO4/c1-3-30-23(28)20-14-27(13-16-8-10-19(26)11-9-16)15-21(24(29)31-4-2)22(20)17-6-5-7-18(25)12-17/h5-12,14-15,22H,3-4,13H2,1-2H3
InChIKeyKDYJIFCZGHDEFJ-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.97
Rot. Bonds7

About diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate

diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate (PubChem CID 4131861) has the molecular formula C24H23ClFNO4 and a molecular weight of 443.90 g/mol. Its IUPAC name is diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
PubChem CID4131861
Molecular FormulaC24H23ClFNO4
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Namediethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1
InChIInChI=1S/C24H23ClFNO4/c1-3-30-23(28)20-14-27(13-16-8-10-19(26)11-9-16)15-21(24(29)31-4-2)22(20)17-6-5-7-18(25)12-17/h5-12,14-15,22H,3-4,13H2,1-2H3
InChIKeyKDYJIFCZGHDEFJ-UHFFFAOYSA-N
XLogP4.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate (CID 4131861) is diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1.
What is the InChIKey of diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
The InChIKey is KDYJIFCZGHDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO4/c1-3-30-23(28)20-14-27(13-16-8-10-19(26)11-9-16)15-21(24(29)31-4-2)22(20)17-6-5-7-18(25)12-17/h5-12,14-15,22H,3-4,13H2,1-2H3.
What are the key properties of diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate has a molecular weight of 443.90 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 4131861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).