4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

C17H9F3N4O — CID 1478442

IUPAC4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H9F3N4O/c18-17(19,20)14-9-15(25-12-6-4-11(10-21)5-7-12)24-16(23-14)13-3-1-2-8-22-13/h1-9H
InChIKeyYZUJNNMUOIKPGI-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.22
Rot. Bonds3

About 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 1478442) has the molecular formula C17H9F3N4O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
PubChem CID1478442
Molecular FormulaC17H9F3N4O
Molecular Weight342.28 g/mol
Exact Mass342.07
IUPAC Name4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H9F3N4O/c18-17(19,20)14-9-15(25-12-6-4-11(10-21)5-7-12)24-16(23-14)13-3-1-2-8-22-13/h1-9H
InChIKeyYZUJNNMUOIKPGI-UHFFFAOYSA-N
XLogP4.22
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (CID 1478442) is 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is N#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is YZUJNNMUOIKPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O/c18-17(19,20)14-9-15(25-12-6-4-11(10-21)5-7-12)24-16(23-14)13-3-1-2-8-22-13/h1-9H.
What are the key properties of 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 342.28 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 1478442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).