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

C12H15F3N2O4 — CID 171558026

IUPAC(2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESNC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)8-2-1-3-9(17-8)21-7-5-20-6(4-16)10(18)11(7)19/h1-3,6-7,10-11,18-19H,4-5,16H2/t6-,7+,10+,11-/m1/s1
InChIKeyLJYJHUKKTUSZOP-GJOTXNKNSA-N
MW308.26 g/mol
LogP-0.07
Rot. Bonds3

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

(2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171558026) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171558026
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC Name(2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESNC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)8-2-1-3-9(17-8)21-7-5-20-6(4-16)10(18)11(7)19/h1-3,6-7,10-11,18-19H,4-5,16H2/t6-,7+,10+,11-/m1/s1
InChIKeyLJYJHUKKTUSZOP-GJOTXNKNSA-N
XLogP-0.07
TPSA97.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
1-[6-(2,2-Difluoroethoxy)pyridin-2-yl]methanamine hydrochloride
CID 165456784
(6-(2,2-Difluoroethoxy)pyridin-2-yl)methanamine
CID 71757854
(R)-6-(6-methylpyridin-2-yloxy)-1,4-oxazepane
CID 77059087
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
1,1,1-Trifluoro-3-[(6-phenoxy-2-pyridinyl)methoxy]-2-(trifluoromethoxy)propan-2-ol
CID 19753530
2-Methyl-6-(piperidin-4-yloxy)pyridine
CID 22499432
(6-(2,2,2-Trifluoroethoxy)pyridin-2-yl)methanol
CID 62240732

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171558026) is (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is NC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is LJYJHUKKTUSZOP-GJOTXNKNSA-N. The full InChI is InChI=1S/C12H15F3N2O4/c13-12(14,15)8-2-1-3-9(17-8)21-7-5-20-6(4-16)10(18)11(7)19/h1-3,6-7,10-11,18-19H,4-5,16H2/t6-,7+,10+,11-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 308.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171558026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).