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

C12H16F3N3O3 — CID 171558171

IUPAC(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESNC[C@H]1OC[C@H](Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16F3N3O3/c13-12(14,15)8-2-1-3-9(18-8)17-6-5-21-7(4-16)11(20)10(6)19/h1-3,6-7,10-11,19-20H,4-5,16H2,(H,17,18)/t6-,7+,10+,11-/m0/s1
InChIKeySELZEXFQWSINGZ-HJGGDWJDSA-N
MW307.27 g/mol
LogP-0.04
Rot. Bonds3

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

(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 171558171) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID171558171
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESNC[C@H]1OC[C@H](Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16F3N3O3/c13-12(14,15)8-2-1-3-9(18-8)17-6-5-21-7(4-16)11(20)10(6)19/h1-3,6-7,10-11,19-20H,4-5,16H2,(H,17,18)/t6-,7+,10+,11-/m0/s1
InChIKeySELZEXFQWSINGZ-HJGGDWJDSA-N
XLogP-0.04
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(hydroxymethyl)-2-(2-pyridylamino)-2H-3,4,5,6-tetrahydropyran-3,4,5-triol
CID 3635123
2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
(2R,3R,4R,5R,6R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 156818522
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 165180199
(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975282
(2R,3R,4R,5R,6S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 167408457
(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)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
1-(Cyclopropylmethoxy)-3-[(6-fluoro-2-pyridinyl)amino]propan-2-ol
CID 56805178
N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
CID 91660937
1,5-anhydro-4-[(5-cyano-4,6-dimethylpyridin-2-yl)amino]-2,4-dideoxy-3-O-(2-hydroxyethyl)-D-erythro-pentitol
CID 91771685

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 171558171) is (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is NC[C@H]1OC[C@H](Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is SELZEXFQWSINGZ-HJGGDWJDSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c13-12(14,15)8-2-1-3-9(18-8)17-6-5-21-7(4-16)11(20)10(6)19/h1-3,6-7,10-11,19-20H,4-5,16H2,(H,17,18)/t6-,7+,10+,11-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 307.27 g/mol, XLogP of -0.04, 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)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 171558171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).