2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine

C13H16F3NO2 — CID 23380590

IUPAC2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCC2CCCCO2)n1
InChIInChI=1S/C13H16F3NO2/c1-9-6-10(13(14,15)16)7-12(17-9)19-8-11-4-2-3-5-18-11/h6-7,11H,2-5,8H2,1H3
InChIKeyXJEVTKFHJYIEBF-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380590) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380590
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCC2CCCCO2)n1
InChIInChI=1S/C13H16F3NO2/c1-9-6-10(13(14,15)16)7-12(17-9)19-8-11-4-2-3-5-18-11/h6-7,11H,2-5,8H2,1H3
InChIKeyXJEVTKFHJYIEBF-UHFFFAOYSA-N
XLogP3.36
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-Methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 9819482
2-(4-Fluoro-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912361
4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
CID 709284
2-(4-Fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 723818
Ethyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy}acetate
CID 2728462
2-Methyl-6-phenylmethoxypyridine
CID 261829
5-Ethyl-4,6-dimethyl-2-methoxy pyridine
CID 6430781
US11072585, Example 41
CID 122536431
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
Pyridine, 2-(2-diethylaminoethoxy)-4,6-dimethyl-, hydrochloride
CID 3057785
2-(Prop-2-yn-1-yloxy)-6-(trifluoromethyl)pyridine
CID 53903078
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine (CID 23380590) is 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCC2CCCCO2)n1.
What is the InChIKey of 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is XJEVTKFHJYIEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-6-10(13(14,15)16)7-12(17-9)19-8-11-4-2-3-5-18-11/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 275.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxan-2-ylmethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).