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

C12H15F3N2O4 — CID 166975420

IUPAC(5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESOCC1OC[C@H](Nc2ncccc2C(F)(F)F)C(O)C1O
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)6-2-1-3-16-11(6)17-7-5-21-8(4-18)10(20)9(7)19/h1-3,7-10,18-20H,4-5H2,(H,16,17)/t7-,8?,9?,10?/m0/s1
InChIKeyKMXNGSLHBDZGCY-KJTVYLTBSA-N
MW308.26 g/mol
LogP-0.01
Rot. Bonds3

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

(5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 166975420) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID166975420
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC Name(5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESOCC1OC[C@H](Nc2ncccc2C(F)(F)F)C(O)C1O
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)6-2-1-3-16-11(6)17-7-5-21-8(4-18)10(20)9(7)19/h1-3,7-10,18-20H,4-5H2,(H,16,17)/t7-,8?,9?,10?/m0/s1
InChIKeyKMXNGSLHBDZGCY-KJTVYLTBSA-N
XLogP-0.01
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5S)-2-(hydroxymethyl)-5-[[3-(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

4-[[1-[5-(Trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]oxan-3-ol
CID 156021463
6-(hydroxymethyl)-2-(2-pyridylamino)-2H-3,4,5,6-tetrahydropyran-3,4,5-triol
CID 3635123
N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2990775
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(propan-2-ylamino)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28962077
(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,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180237
(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975282
(2R,3R,4R,5S)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975296
(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)-5-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 167408691
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 166975420) is (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is OCC1OC[C@H](Nc2ncccc2C(F)(F)F)C(O)C1O.
What is the InChIKey of (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is KMXNGSLHBDZGCY-KJTVYLTBSA-N. The full InChI is InChI=1S/C12H15F3N2O4/c13-12(14,15)6-2-1-3-16-11(6)17-7-5-21-8(4-18)10(20)9(7)19/h1-3,7-10,18-20H,4-5H2,(H,16,17)/t7-,8?,9?,10?/m0/s1.
What are the key properties of (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 308.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 166975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).