dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

C25H25F2NO6 — CID 3063341

IUPACdimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccccc1OC(F)F
InChIInChI=1S/C25H25F2NO6/c1-14-20(23(29)32-4)22(18-8-6-7-9-19(18)34-25(26)27)21(24(30)33-5)15(2)28(14)16-10-12-17(31-3)13-11-16/h6-13,22,25H,1-5H3
InChIKeyVILZDKHHODLYSX-UHFFFAOYSA-N
MW473.47 g/mol
LogP4.79
Rot. Bonds7

About dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 3063341) has the molecular formula C25H25F2NO6 and a molecular weight of 473.47 g/mol. Its IUPAC name is dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID3063341
Molecular FormulaC25H25F2NO6
Molecular Weight473.47 g/mol
Exact Mass473.16
IUPAC Namedimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccccc1OC(F)F
InChIInChI=1S/C25H25F2NO6/c1-14-20(23(29)32-4)22(18-8-6-7-9-19(18)34-25(26)27)21(24(30)33-5)15(2)28(14)16-10-12-17(31-3)13-11-16/h6-13,22,25H,1-5H3
InChIKeyVILZDKHHODLYSX-UHFFFAOYSA-N
XLogP4.79
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (CID 3063341) is dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccccc1OC(F)F.
What is the InChIKey of dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is VILZDKHHODLYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO6/c1-14-20(23(29)32-4)22(18-8-6-7-9-19(18)34-25(26)27)21(24(30)33-5)15(2)28(14)16-10-12-17(31-3)13-11-16/h6-13,22,25H,1-5H3.
What are the key properties of dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 473.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 3063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).