(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C17H17F3N2O5 — CID 171558342

IUPAC(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccccn1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)12-4-3-6-14(22-12)27-11-9-25-10(15(23)16(11)24)8-26-13-5-1-2-7-21-13/h1-7,10-11,15-16,23-24H,8-9H2/t10-,11+,15+,16-/m1/s1
InChIKeyRYGBLQWPVSUCPW-LZJQFABFSA-N
MW386.33 g/mol
LogP1.44
Rot. Bonds5

About (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171558342) has the molecular formula C17H17F3N2O5 and a molecular weight of 386.33 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171558342
Molecular FormulaC17H17F3N2O5
Molecular Weight386.33 g/mol
Exact Mass386.11
IUPAC Name(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccccn1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)12-4-3-6-14(22-12)27-11-9-25-10(15(23)16(11)24)8-26-13-5-1-2-7-21-13/h1-7,10-11,15-16,23-24H,8-9H2/t10-,11+,15+,16-/m1/s1
InChIKeyRYGBLQWPVSUCPW-LZJQFABFSA-N
XLogP1.44
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

Cyanogriside E
CID 160877588
Cyanogriside H
CID 163062519
6-[2-[2-[2-(5-Bromopyridin-2-yl)oxyethoxy]ethoxy]ethoxy]-1,1,1-trifluorohexan-2-ol
CID 134481660
Ethane;2-(2-methoxyethoxy)pyridine;2-(2,2,2-trifluoroethoxy)pyridine
CID 144246116
2-Propan-2-yloxypyridine;2-(2,2,2-trifluoroethoxy)pyridine
CID 144246129
3,5-Difluoro-2-methylpyridine;ethane;2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 145564990
2-[[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-6-(2-pyridin-4-ylethynyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-6-(trifluoromethyl)pyridine
CID 171556623
(2R,3R,4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556719
[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl (2Z)-N-methylpenta-2,4-dienimidate
CID 171556723
(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556783
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556803
(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
CID 171556871

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171558342) is (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccccn1.
What is the InChIKey of (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is RYGBLQWPVSUCPW-LZJQFABFSA-N. The full InChI is InChI=1S/C17H17F3N2O5/c18-17(19,20)12-4-3-6-14(22-12)27-11-9-25-10(15(23)16(11)24)8-26-13-5-1-2-7-21-13/h1-7,10-11,15-16,23-24H,8-9H2/t10-,11+,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 386.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(pyridin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171558342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).