dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate

C24H23ClFNO6 — CID 1295689

IUPACdimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C24H23ClFNO6/c1-31-20-11-15(10-19(25)22(20)28)21-17(23(29)32-2)12-27(13-18(21)24(30)33-3)9-8-14-4-6-16(26)7-5-14/h4-7,10-13,21,28H,8-9H2,1-3H3
InChIKeySTNOYRFOILCJJM-UHFFFAOYSA-N
MW475.90 g/mol
LogP3.95
Rot. Bonds7

About dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate

dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate (PubChem CID 1295689) has the molecular formula C24H23ClFNO6 and a molecular weight of 475.90 g/mol. Its IUPAC name is dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate
PubChem CID1295689
Molecular FormulaC24H23ClFNO6
Molecular Weight475.90 g/mol
Exact Mass475.12
IUPAC Namedimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C24H23ClFNO6/c1-31-20-11-15(10-19(25)22(20)28)21-17(23(29)32-2)12-27(13-18(21)24(30)33-3)9-8-14-4-6-16(26)7-5-14/h4-7,10-13,21,28H,8-9H2,1-3H3
InChIKeySTNOYRFOILCJJM-UHFFFAOYSA-N
XLogP3.95
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2948981
dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
CID 1094441
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4089026
dimethyl 1-[(4-fluorophenyl)methyl]-4-(2,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1297774
dimethyl 4-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4692682
dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1305328
dimethyl 4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4114431
dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
CID 1307447
dimethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2966059
dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1261229
dimethyl 1-[(4-fluorophenyl)methyl]-4-(4-propoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2172335
dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1094439

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate (CID 1295689) is dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1.
What is the InChIKey of dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate?
The InChIKey is STNOYRFOILCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO6/c1-31-20-11-15(10-19(25)22(20)28)21-17(23(29)32-2)12-27(13-18(21)24(30)33-3)9-8-14-4-6-16(26)7-5-14/h4-7,10-13,21,28H,8-9H2,1-3H3.
What are the key properties of dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate has a molecular weight of 475.90 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1295689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).