6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine

C25H25F4NO2 — CID 66993758

IUPAC6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2cc(C(F)(F)F)ccc2F)c(C)n1
InChIInChI=1S/C25H25F4NO2/c1-5-16-8-7-9-17(6-2)24(16)21-13-22(31-4)19(15(3)30-21)14-32-23-12-18(25(27,28)29)10-11-20(23)26/h7-13H,5-6,14H2,1-4H3
InChIKeyLPFRKSMFNYBSAP-UHFFFAOYSA-N
MW447.47 g/mol
LogP6.93
Rot. Bonds7

About 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine

6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine (PubChem CID 66993758) has the molecular formula C25H25F4NO2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine
PubChem CID66993758
Molecular FormulaC25H25F4NO2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2cc(C(F)(F)F)ccc2F)c(C)n1
InChIInChI=1S/C25H25F4NO2/c1-5-16-8-7-9-17(6-2)24(16)21-13-22(31-4)19(15(3)30-21)14-32-23-12-18(25(27,28)29)10-11-20(23)26/h7-13H,5-6,14H2,1-4H3
InChIKeyLPFRKSMFNYBSAP-UHFFFAOYSA-N
XLogP6.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.47
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine with MolForge

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Related Compounds

[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 59678353
6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine
CID 66994037
6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
CID 66995168
6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
CID 66994470
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine
CID 66994563
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66994430
3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
CID 66994471
6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
CID 66995131
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 66993616
5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994574
1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate
CID 144933730
benzyl-cyclohexylidene-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]azanium
CID 87228789

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine (CID 66993758) is 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine is CCc1cccc(CC)c1-c1cc(OC)c(COc2cc(C(F)(F)F)ccc2F)c(C)n1.
What is the InChIKey of 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine?
The InChIKey is LPFRKSMFNYBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4NO2/c1-5-16-8-7-9-17(6-2)24(16)21-13-22(31-4)19(15(3)30-21)14-32-23-12-18(25(27,28)29)10-11-20(23)26/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine?
6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine has a molecular weight of 447.47 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine is sourced from PubChem (CID 66993758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).