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

C18H18BrF3N2O4 — CID 171558228

IUPAC(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccc(Br)cc1
InChIInChI=1S/C18H18BrF3N2O4/c19-10-4-6-11(7-5-10)27-9-13-17(26)16(25)12(8-28-13)23-15-3-1-2-14(24-15)18(20,21)22/h1-7,12-13,16-17,25-26H,8-9H2,(H,23,24)/t12-,13+,16+,17-/m0/s1
InChIKeyGBEQHHUQWOETHG-IXKJSCDLSA-N
MW463.25 g/mol
LogP2.84
Rot. Bonds5

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

(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 171558228) has the molecular formula C18H18BrF3N2O4 and a molecular weight of 463.25 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID171558228
Molecular FormulaC18H18BrF3N2O4
Molecular Weight463.25 g/mol
Exact Mass462.04
IUPAC Name(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccc(Br)cc1
InChIInChI=1S/C18H18BrF3N2O4/c19-10-4-6-11(7-5-10)27-9-13-17(26)16(25)12(8-28-13)23-15-3-1-2-14(24-15)18(20,21)22/h1-7,12-13,16-17,25-26H,8-9H2,(H,23,24)/t12-,13+,16+,17-/m0/s1
InChIKeyGBEQHHUQWOETHG-IXKJSCDLSA-N
XLogP2.84
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.25
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(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

(2R,3R,4R,5S)-2-[[4-(4-ethylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171556768
(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
(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557699
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557751
(2R,3R,4R,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557820
(2R,3R,4R,5S)-2-(pyridazin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558096
(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol
CID 171558379
(2R,3R,4R,5S)-5-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(trifluoromethyl)pyrimidin-2-yl]amino]-2-(phenoxymethyl)oxane-3,4-diol
CID 172240350
6-[(4-bromo-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyridin-2-amine
CID 177267715
(2R,3R,4R,5S)-2-[[4-(4-prop-1-en-2-ylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 178007484
(2R,3R,4R,5S)-2-ethyl-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
CID 178007603

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 171558228) is (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccc(Br)cc1.
What is the InChIKey of (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is GBEQHHUQWOETHG-IXKJSCDLSA-N. The full InChI is InChI=1S/C18H18BrF3N2O4/c19-10-4-6-11(7-5-10)27-9-13-17(26)16(25)12(8-28-13)23-15-3-1-2-14(24-15)18(20,21)22/h1-7,12-13,16-17,25-26H,8-9H2,(H,23,24)/t12-,13+,16+,17-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 463.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 171558228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).