2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H13F3N2O2 — CID 79869424

IUPAC2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1CCCCO1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)11-5-4-9(7-17)12(18-11)20-8-10-3-1-2-6-19-10/h4-5,10H,1-3,6,8H2
InChIKeyUGHGGEDKTDAWHQ-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.92
Rot. Bonds3

About 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79869424) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79869424
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1CCCCO1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)11-5-4-9(7-17)12(18-11)20-8-10-3-1-2-6-19-10/h4-5,10H,1-3,6,8H2
InChIKeyUGHGGEDKTDAWHQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
CID 82955844
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873370
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877373
2-(furan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869558
2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873398
2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 82807332

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79869424) is 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UGHGGEDKTDAWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)11-5-4-9(7-17)12(18-11)20-8-10-3-1-2-6-19-10/h4-5,10H,1-3,6,8H2.
What are the key properties of 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 286.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79869424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).