2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol

C16H24F3NO4 — CID 178008583

IUPAC2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol
SMILESCC(C)OCC1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H18O4.C7H6F3N/c1-6(2)13-5-8-9(11)7(10)3-4-12-8;1-5-3-2-4-6(11-5)7(8,9)10/h6-11H,3-5H2,1-2H3;2-4H,1H3
InChIKeyQIPLNKOCTPMGMS-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.33
Rot. Bonds3

About 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol

2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol (PubChem CID 178008583) has the molecular formula C16H24F3NO4 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol
PubChem CID178008583
Molecular FormulaC16H24F3NO4
Molecular Weight351.37 g/mol
Exact Mass351.17
IUPAC Name2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol
SMILESCC(C)OCC1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H18O4.C7H6F3N/c1-6(2)13-5-8-9(11)7(10)3-4-12-8;1-5-3-2-4-6(11-5)7(8,9)10/h6-11H,3-5H2,1-2H3;2-4H,1H3
InChIKeyQIPLNKOCTPMGMS-UHFFFAOYSA-N
XLogP2.33
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethanol, 2-[3-(6-methyl-2-pyridinyl)propoxy]-
CID 116851
4-[6-(Trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 176437246
4-Fluoro-6-[6-(trifluoromethyl)-2-pyridinyl]hexan-1-ol
CID 177851570
2-Methyl-6-(3-hydroxypentyl)pyridine
CID 572290
2-Methyl-6-(3-hydroxynonyl)pyridine
CID 572387
3-[6-(Trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 69966825
2-[2-(6-Fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol
CID 142674428
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyridine
CID 171556780
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171557209
Ethane;4-ethoxy-1-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptane-2,3-diol
CID 171557423
2-Methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol
CID 171557553
2-(Hydroxymethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol (CID 178008583) is 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol is CC(C)OCC1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
The InChIKey is QIPLNKOCTPMGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4.C7H6F3N/c1-6(2)13-5-8-9(11)7(10)3-4-12-8;1-5-3-2-4-6(11-5)7(8,9)10/h6-11H,3-5H2,1-2H3;2-4H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol has a molecular weight of 351.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyridine;2-(propan-2-yloxymethyl)oxane-3,4-diol is sourced from PubChem (CID 178008583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).