6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

C13H7F3N2O — CID 12009738

IUPAC6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)9-3-1-5-11(7-9)19-12-6-2-4-10(8-17)18-12/h1-7H
InChIKeyFENSEQMCUXGAOR-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.76
Rot. Bonds2

About 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 12009738) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
PubChem CID12009738
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)9-3-1-5-11(7-9)19-12-6-2-4-10(8-17)18-12/h1-7H
InChIKeyFENSEQMCUXGAOR-UHFFFAOYSA-N
XLogP3.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile 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 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (CID 12009738) is 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is N#Cc1cccc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is FENSEQMCUXGAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)9-3-1-5-11(7-9)19-12-6-2-4-10(8-17)18-12/h1-7H.
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 12009738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).