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

C12H15F3N2O5 — CID 171557751

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2cccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15F3N2O5/c13-12(14,15)22-9-3-1-2-8(17-9)16-6-5-21-7(4-18)11(20)10(6)19/h1-3,6-7,10-11,18-20H,4-5H2,(H,16,17)/t6-,7+,10+,11-/m0/s1
InChIKeyDKGRGWMJBQTKHC-HJGGDWJDSA-N
MW324.26 g/mol
LogP-0.13
Rot. Bonds4

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 171557751) has the molecular formula C12H15F3N2O5 and a molecular weight of 324.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID171557751
Molecular FormulaC12H15F3N2O5
Molecular Weight324.26 g/mol
Exact Mass324.09
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2cccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15F3N2O5/c13-12(14,15)22-9-3-1-2-8(17-9)16-6-5-21-7(4-18)11(20)10(6)19/h1-3,6-7,10-11,18-20H,4-5H2,(H,16,17)/t6-,7+,10+,11-/m0/s1
InChIKeyDKGRGWMJBQTKHC-HJGGDWJDSA-N
XLogP-0.13
TPSA104.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
2-[[5-(Difluoromethoxy)pyridin-2-yl]amino]cyclopentan-1-ol
CID 86805464
1-[6-(3-Hydroxypropoxy)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458219
1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one
CID 66734328
(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol
CID 130470431
(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975288
(2R,3R,4R,5R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975541
(2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 167221556
(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 167221791
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171400168
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557338
(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 171557487

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol (CID 171557751) is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2cccc(OC(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is DKGRGWMJBQTKHC-HJGGDWJDSA-N. The full InChI is InChI=1S/C12H15F3N2O5/c13-12(14,15)22-9-3-1-2-8(17-9)16-6-5-21-7(4-18)11(20)10(6)19/h1-3,6-7,10-11,18-20H,4-5H2,(H,16,17)/t6-,7+,10+,11-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 324.26 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 171557751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).