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

C12H16F2N2O5 — CID 171557487

IUPAC(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2cccc(OC(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16F2N2O5/c13-12(14)21-9-3-1-2-8(16-9)15-6-5-20-7(4-17)11(19)10(6)18/h1-3,6-7,10-12,17-19H,4-5H2,(H,15,16)/t6-,7+,10+,11-/m0/s1
InChIKeyJZULKVMEVXFLJW-HJGGDWJDSA-N
MW306.26 g/mol
LogP-0.42
Rot. Bonds5

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

(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 171557487) has the molecular formula C12H16F2N2O5 and a molecular weight of 306.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID171557487
Molecular FormulaC12H16F2N2O5
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2cccc(OC(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16F2N2O5/c13-12(14)21-9-3-1-2-8(16-9)15-6-5-20-7(4-17)11(19)10(6)18/h1-3,6-7,10-12,17-19H,4-5H2,(H,15,16)/t6-,7+,10+,11-/m0/s1
InChIKeyJZULKVMEVXFLJW-HJGGDWJDSA-N
XLogP-0.42
TPSA104.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
1-[6-(4-Hydroxybutoxy)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458224
1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one
CID 66734328
(2R,3R,4R,5S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975288
(2R,3R,4R,5R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975541
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171400168
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557338
(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,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558026
(2R,3R,4R,5S)-2-(pyridazin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558096

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 171557487) is (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2cccc(OC(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is JZULKVMEVXFLJW-HJGGDWJDSA-N. The full InChI is InChI=1S/C12H16F2N2O5/c13-12(14)21-9-3-1-2-8(16-9)15-6-5-20-7(4-17)11(19)10(6)18/h1-3,6-7,10-12,17-19H,4-5H2,(H,15,16)/t6-,7+,10+,11-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 306.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 171557487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).