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

C13H8F3N3O — CID 58873370

IUPAC2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCc1ccccn1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)11-5-4-9(7-17)12(19-11)20-8-10-3-1-2-6-18-10/h1-6H,8H2
InChIKeyMAIPDBFYECEVFP-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.95
Rot. Bonds3

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

2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873370) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873370
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCc1ccccn1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)11-5-4-9(7-17)12(19-11)20-8-10-3-1-2-6-18-10/h1-6H,8H2
InChIKeyMAIPDBFYECEVFP-UHFFFAOYSA-N
XLogP2.95
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873370) is 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MAIPDBFYECEVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)11-5-4-9(7-17)12(19-11)20-8-10-3-1-2-6-18-10/h1-6H,8H2.
What are the key properties of 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 279.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).