methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate

C26H16Cl3F2NO3 — CID 10128697

IUPACmethyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C26H16Cl3F2NO3/c1-34-26(33)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)32-25(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3
InChIKeyYUWBNZDQMZVVJU-UHFFFAOYSA-N
MW534.77 g/mol
LogP8.02
Rot. Bonds6

About methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate

methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate (PubChem CID 10128697) has the molecular formula C26H16Cl3F2NO3 and a molecular weight of 534.77 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate
PubChem CID10128697
Molecular FormulaC26H16Cl3F2NO3
Molecular Weight534.77 g/mol
Exact Mass533.02
IUPAC Namemethyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C26H16Cl3F2NO3/c1-34-26(33)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)32-25(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3
InChIKeyYUWBNZDQMZVVJU-UHFFFAOYSA-N
XLogP8.02
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.77
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate (CID 10128697) is methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate?
The InChIKey is YUWBNZDQMZVVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl3F2NO3/c1-34-26(33)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)32-25(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate?
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate has a molecular weight of 534.77 g/mol, XLogP of 8.02, 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)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 10128697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).