methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate

C26H24Cl3NO3 — CID 10311368

IUPACmethyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1
InChIInChI=1S/C26H24Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3
InChIKeyKJCUASHIVJLXJK-UHFFFAOYSA-N
MW504.84 g/mol
LogP8.12
Rot. Bonds6

About methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate

methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate (PubChem CID 10311368) has the molecular formula C26H24Cl3NO3 and a molecular weight of 504.84 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
PubChem CID10311368
Molecular FormulaC26H24Cl3NO3
Molecular Weight504.84 g/mol
Exact Mass503.08
IUPAC Namemethyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1
InChIInChI=1S/C26H24Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3
InChIKeyKJCUASHIVJLXJK-UHFFFAOYSA-N
XLogP8.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.84
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate (CID 10311368) is methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
The InChIKey is KJCUASHIVJLXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate has a molecular weight of 504.84 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 10311368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).