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

C17H17F3N2O5 — CID 171557341

IUPAC(2R,3R,4S,5S)-2-(pyridin-3-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]1COc1cccnc1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)13-4-1-5-14(22-13)27-12-9-26-11(15(23)16(12)24)8-25-10-3-2-6-21-7-10/h1-7,11-12,15-16,23-24H,8-9H2/t11-,12+,15+,16-/m1/s1
InChIKeyCVAQAGYTTODFKG-GUYJKWIASA-N
MW386.33 g/mol
LogP1.44
Rot. Bonds5

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

(2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557341) has the molecular formula C17H17F3N2O5 and a molecular weight of 386.33 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557341
Molecular FormulaC17H17F3N2O5
Molecular Weight386.33 g/mol
Exact Mass386.11
IUPAC Name(2R,3R,4S,5S)-2-(pyridin-3-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]1COc1cccnc1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)13-4-1-5-14(22-13)27-12-9-26-11(15(23)16(12)24)8-25-10-3-2-6-21-7-10/h1-7,11-12,15-16,23-24H,8-9H2/t11-,12+,15+,16-/m1/s1
InChIKeyCVAQAGYTTODFKG-GUYJKWIASA-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-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

US10155760, Example 178
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{3-[2-(Tetrahydro-2H-pyran-2-yloxy)ethoxy]pyridin-2-yl}methanol
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(5-(2,2,2-Trifluoroethoxy)pyridin-2-yl)methanol
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(5-(2-[2-(2-Methoxyethoxy)ethoxy]ethoxy)pyridin-2-yl)methanol
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3,4-Pyridinedimethanol, 5-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]-6-methyl-
CID 342692
(3S,4S)-3-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpiperidin-4-ol
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[5-(2-Fluoroethoxy)pyridin-2-yl]methanol
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[5-(2-Fluoroethoxy)pyridin-2-yl]methanol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557341) is (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(pyridin-3-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]1COc1cccnc1.
What is the InChIKey of (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is CVAQAGYTTODFKG-GUYJKWIASA-N. The full InChI is InChI=1S/C17H17F3N2O5/c18-17(19,20)13-4-1-5-14(22-13)27-12-9-26-11(15(23)16(12)24)8-25-10-3-2-6-21-7-10/h1-7,11-12,15-16,23-24H,8-9H2/t11-,12+,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(pyridin-3-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-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).