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

C12H14F4N2O4 — CID 167221556

IUPAC(2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ccc(F)c(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14F4N2O4/c13-5-1-2-8(18-11(5)12(14,15)16)17-6-4-22-7(3-19)10(21)9(6)20/h1-2,6-7,9-10,19-21H,3-4H2,(H,17,18)/t6-,7+,9+,10-/m0/s1
InChIKeyIAJFIYXUOJXNQU-WDQPUEAGSA-N
MW326.25 g/mol
LogP0.13
Rot. Bonds3

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

(2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 167221556) has the molecular formula C12H14F4N2O4 and a molecular weight of 326.25 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID167221556
Molecular FormulaC12H14F4N2O4
Molecular Weight326.25 g/mol
Exact Mass326.09
IUPAC Name(2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ccc(F)c(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14F4N2O4/c13-5-1-2-8(18-11(5)12(14,15)16)17-6-4-22-7(3-19)10(21)9(6)20/h1-2,6-7,9-10,19-21H,3-4H2,(H,17,18)/t6-,7+,9+,10-/m0/s1
InChIKeyIAJFIYXUOJXNQU-WDQPUEAGSA-N
XLogP0.13
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 167221556) is (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2ccc(F)c(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is IAJFIYXUOJXNQU-WDQPUEAGSA-N. The full InChI is InChI=1S/C12H14F4N2O4/c13-5-1-2-8(18-11(5)12(14,15)16)17-6-4-22-7(3-19)10(21)9(6)20/h1-2,6-7,9-10,19-21H,3-4H2,(H,17,18)/t6-,7+,9+,10-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 326.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 167221556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).