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

C13H17F3N2O3 — CID 176953551

IUPAC(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCC[C@H]1OCC(Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O3/c1-2-8-12(20)11(19)7(6-21-8)17-10-5-3-4-9(18-10)13(14,15)16/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18)/t7?,8-,11-,12+/m1/s1
InChIKeyNEEKYCPCBABLJD-MZTOHZFKSA-N
MW306.28 g/mol
LogP1.41
Rot. Bonds3

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

(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 176953551) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID176953551
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESCC[C@H]1OCC(Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O3/c1-2-8-12(20)11(19)7(6-21-8)17-10-5-3-4-9(18-10)13(14,15)16/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18)/t7?,8-,11-,12+/m1/s1
InChIKeyNEEKYCPCBABLJD-MZTOHZFKSA-N
XLogP1.41
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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
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
(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
CID 97321079
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 176953551) is (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is CC[C@H]1OCC(Nc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is NEEKYCPCBABLJD-MZTOHZFKSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-8-12(20)11(19)7(6-21-8)17-10-5-3-4-9(18-10)13(14,15)16/h3-5,7-8,11-12,19-20H,2,6H2,1H3,(H,17,18)/t7?,8-,11-,12+/m1/s1.
What are the key properties of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 306.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 176953551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).