(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

C13H17F3N2O4 — CID 171400168

IUPAC(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCOC[C@H]1OC[C@H](Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O4/c1-21-6-8-12(20)11(19)7(5-22-8)17-10-4-2-3-9(18-10)13(14,15)16/h2-4,7-8,11-12,19-20H,5-6H2,1H3,(H,17,18)/t7-,8+,11+,12-/m0/s1
InChIKeyYCQIEEAJRYTNHR-MDSNHJATSA-N
MW322.28 g/mol
LogP0.65
Rot. Bonds4

About (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 171400168) has the molecular formula C13H17F3N2O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID171400168
Molecular FormulaC13H17F3N2O4
Molecular Weight322.28 g/mol
Exact Mass322.11
IUPAC Name(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCOC[C@H]1OC[C@H](Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O4/c1-21-6-8-12(20)11(19)7(5-22-8)17-10-4-2-3-9(18-10)13(14,15)16/h2-4,7-8,11-12,19-20H,5-6H2,1H3,(H,17,18)/t7-,8+,11+,12-/m0/s1
InChIKeyYCQIEEAJRYTNHR-MDSNHJATSA-N
XLogP0.65
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-2-(2-pyridylamino)-2H-3,4,5,6-tetrahydropyran-3,4,5-triol
CID 3635123
2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
(2R,3R,4R,5R,6R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 156818522
(2R,3R,4R,5R,6R)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 165180162
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 165180199
(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975282
(2R,3R,4R,5R,6S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 167408457
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408673
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887
N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61779331
2-(Hydroxymethyl)-1-methylpiperidin-4-ol;2-piperidin-1-yl-6-(trifluoromethyl)pyridine
CID 157039506

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 171400168) is (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is COC[C@H]1OC[C@H](Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is YCQIEEAJRYTNHR-MDSNHJATSA-N. The full InChI is InChI=1S/C13H17F3N2O4/c1-21-6-8-12(20)11(19)7(5-22-8)17-10-4-2-3-9(18-10)13(14,15)16/h2-4,7-8,11-12,19-20H,5-6H2,1H3,(H,17,18)/t7-,8+,11+,12-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 322.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 171400168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).