2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine

C20H22F3NO6 — CID 164856080

IUPAC2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
SMILESCOc1cnc(OCC2COCCO2)c(-c2ccc(OCC(F)(F)F)cc2)c1OC
InChIInChI=1S/C20H22F3NO6/c1-25-16-9-24-19(29-11-15-10-27-7-8-28-15)17(18(16)26-2)13-3-5-14(6-4-13)30-12-20(21,22)23/h3-6,9,15H,7-8,10-12H2,1-2H3
InChIKeyBBTOTWAWZCVJSI-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.50
Rot. Bonds8

About 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine

2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine (PubChem CID 164856080) has the molecular formula C20H22F3NO6 and a molecular weight of 429.39 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
PubChem CID164856080
Molecular FormulaC20H22F3NO6
Molecular Weight429.39 g/mol
Exact Mass429.14
IUPAC Name2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
SMILESCOc1cnc(OCC2COCCO2)c(-c2ccc(OCC(F)(F)F)cc2)c1OC
InChIInChI=1S/C20H22F3NO6/c1-25-16-9-24-19(29-11-15-10-27-7-8-28-15)17(18(16)26-2)13-3-5-14(6-4-13)30-12-20(21,22)23/h3-6,9,15H,7-8,10-12H2,1-2H3
InChIKeyBBTOTWAWZCVJSI-UHFFFAOYSA-N
XLogP3.50
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine with MolForge

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Related Compounds

2-[[3-methoxy-4-methyl-5-[4-(2,2,2-trifluoroethoxy)phenyl]phenoxy]methyl]-1,4-dioxane
CID 164856629
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
(E)-1-(1,4-dioxan-2-ylmethoxy)-3-imino-3-[4-(2,2,2-trifluoroethoxy)phenyl]prop-1-en-1-amine
CID 164856476
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959
5,10,15-tris(4-methylphenyl)-20-[4-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethoxy)phenyl]-21,23-dihydroporphyrin
CID 136913274
1-[[2-bromo-5-(2,2,2-trifluoroethoxy)phenyl]methyl]-4-(1,4-dioxan-2-ylmethoxy)pyrimidin-2-one
CID 164856201
2-[[3-[4-(2,2-difluorobut-3-enoxy)phenyl]-5-(oxetan-3-yl)phenoxy]methyl]-1,4-dioxane
CID 164856575
3-[6-(1,4-dioxan-2-ylmethoxy)naphthalen-2-yl]-1-methylpyrazole
CID 175643181
3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
CID 13195077
4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine
CID 162687373
5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487006
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine?
The IUPAC name of 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine (CID 164856080) is 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine is COc1cnc(OCC2COCCO2)c(-c2ccc(OCC(F)(F)F)cc2)c1OC.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine?
The InChIKey is BBTOTWAWZCVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO6/c1-25-16-9-24-19(29-11-15-10-27-7-8-28-15)17(18(16)26-2)13-3-5-14(6-4-13)30-12-20(21,22)23/h3-6,9,15H,7-8,10-12H2,1-2H3.
What are the key properties of 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine?
2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine has a molecular weight of 429.39 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine is sourced from PubChem (CID 164856080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).