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

C12H15F3N2O4 — CID 163715417

IUPAC(5R)-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?/m1/s1
InChIKeyKMXNGSLHBDZGCY-QVNBGCGHSA-N
MW308.26 g/mol
LogP-0.01
Rot. Bonds3

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

(5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 163715417) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID163715417
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC Name(5R)-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?/m1/s1
InChIKeyKMXNGSLHBDZGCY-QVNBGCGHSA-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 (5R)-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

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 163715417) is (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (5R)-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 (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is KMXNGSLHBDZGCY-QVNBGCGHSA-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?/m1/s1.
What are the key properties of (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(5R)-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 (5R)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 163715417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).