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

C26H28FNO6 — CID 2233368

IUPACdiethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1OC
InChIInChI=1S/C26H28FNO6/c1-5-33-25(29)20-15-28(14-17-10-12-18(27)13-11-17)16-21(26(30)34-6-2)23(20)19-8-7-9-22(31-3)24(19)32-4/h7-13,15-16,23H,5-6,14H2,1-4H3
InChIKeyGFBPWNHWHRCKBW-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.34
Rot. Bonds9

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

diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate (PubChem CID 2233368) has the molecular formula C26H28FNO6 and a molecular weight of 469.51 g/mol. Its IUPAC name is diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
PubChem CID2233368
Molecular FormulaC26H28FNO6
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Namediethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1OC
InChIInChI=1S/C26H28FNO6/c1-5-33-25(29)20-15-28(14-17-10-12-18(27)13-11-17)16-21(26(30)34-6-2)23(20)19-8-7-9-22(31-3)24(19)32-4/h7-13,15-16,23H,5-6,14H2,1-4H3
InChIKeyGFBPWNHWHRCKBW-UHFFFAOYSA-N
XLogP4.34
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4131861
dimethyl 1-[(4-fluorophenyl)methyl]-4-(2,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1297774
ethyl (4R)-4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331713
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072
dimethyl 4-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4692682
dimethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2966059
dimethyl 4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4114431
diethyl 1-[(4-chlorophenyl)methyl]-4-(3-hydroxy-4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1305599
dimethyl 4-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 1287213
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate (CID 2233368) is diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1OC.
What is the InChIKey of diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
The InChIKey is GFBPWNHWHRCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO6/c1-5-33-25(29)20-15-28(14-17-10-12-18(27)13-11-17)16-21(26(30)34-6-2)23(20)19-8-7-9-22(31-3)24(19)32-4/h7-13,15-16,23H,5-6,14H2,1-4H3.
What are the key properties of diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate has a molecular weight of 469.51 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2233368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).