6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine

C24H25F2NO — CID 66994037

IUPAC6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c(COc2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C24H25F2NO/c1-5-17-8-7-9-18(6-2)24(17)23-10-15(3)22(16(4)27-23)14-28-21-12-19(25)11-20(26)13-21/h7-13H,5-6,14H2,1-4H3
InChIKeyXDGLXBKTWGCFAS-UHFFFAOYSA-N
MW381.47 g/mol
LogP6.35
Rot. Bonds6

About 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine

6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine (PubChem CID 66994037) has the molecular formula C24H25F2NO and a molecular weight of 381.47 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine
PubChem CID66994037
Molecular FormulaC24H25F2NO
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c(COc2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C24H25F2NO/c1-5-17-8-7-9-18(6-2)24(17)23-10-15(3)22(16(4)27-23)14-28-21-12-19(25)11-20(26)13-21/h7-13H,5-6,14H2,1-4H3
InChIKeyXDGLXBKTWGCFAS-UHFFFAOYSA-N
XLogP6.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine (CID 66994037) is 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine is CCc1cccc(CC)c1-c1cc(C)c(COc2cc(F)cc(F)c2)c(C)n1.
What is the InChIKey of 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine?
The InChIKey is XDGLXBKTWGCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO/c1-5-17-8-7-9-18(6-2)24(17)23-10-15(3)22(16(4)27-23)14-28-21-12-19(25)11-20(26)13-21/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine?
6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine has a molecular weight of 381.47 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine is sourced from PubChem (CID 66994037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).