diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

C28H29BrClNO6 — CID 19232642

IUPACdiethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1
InChIInChI=1S/C28H29BrClNO6/c1-6-34-22-14-19(13-21(29)26(22)37-15-18-9-11-20(30)12-10-18)25-23(27(32)35-7-2)16(4)31-17(5)24(25)28(33)36-8-3/h9-14H,6-8,15H2,1-5H3
InChIKeyWILLINRAMURZMH-UHFFFAOYSA-N
MW590.90 g/mol
LogP7.11
Rot. Bonds10

About diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate

diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232642) has the molecular formula C28H29BrClNO6 and a molecular weight of 590.90 g/mol. Its IUPAC name is diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232642
Molecular FormulaC28H29BrClNO6
Molecular Weight590.90 g/mol
Exact Mass589.09
IUPAC Namediethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1
InChIInChI=1S/C28H29BrClNO6/c1-6-34-22-14-19(13-21(29)26(22)37-15-18-9-11-20(30)12-10-18)25-23(27(32)35-7-2)16(4)31-17(5)24(25)28(33)36-8-3/h9-14H,6-8,15H2,1-5H3
InChIKeyWILLINRAMURZMH-UHFFFAOYSA-N
XLogP7.11
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.90
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-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-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232686
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232605
diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662920
diethyl 4-[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232608
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922
dimethyl 4-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232597
ethyl 7-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135825254
dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232775
[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 1001790
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 6872613
4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 4720564

Frequently Asked Questions

What is the IUPAC name of diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232642) is diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1.
What is the InChIKey of diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is WILLINRAMURZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrClNO6/c1-6-34-22-14-19(13-21(29)26(22)37-15-18-9-11-20(30)12-10-18)25-23(27(32)35-7-2)16(4)31-17(5)24(25)28(33)36-8-3/h9-14H,6-8,15H2,1-5H3.
What are the key properties of diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate?
diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 590.90 g/mol, XLogP of 7.11, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).