2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H11F3N2O2 — CID 79876178

IUPAC2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OC1CCOCC1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)10-2-1-8(7-16)11(17-10)19-9-3-5-18-6-4-9/h1-2,9H,3-6H2
InChIKeyDJOLUAHSTKBJEW-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.53
Rot. Bonds2

About 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876178) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876178
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OC1CCOCC1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)10-2-1-8(7-16)11(17-10)19-9-3-5-18-6-4-9/h1-2,9H,3-6H2
InChIKeyDJOLUAHSTKBJEW-UHFFFAOYSA-N
XLogP2.53
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876178) is 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DJOLUAHSTKBJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)10-2-1-8(7-16)11(17-10)19-9-3-5-18-6-4-9/h1-2,9H,3-6H2.
What are the key properties of 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 272.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).