6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

C14H6F3N3O — CID 115467723

IUPAC6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2cccc(C#N)n2)c(C(F)(F)F)c1
InChIInChI=1S/C14H6F3N3O/c15-14(16,17)11-6-9(7-18)4-5-12(11)21-13-3-1-2-10(8-19)20-13/h1-6H
InChIKeyFKVUBXFAQDBGJM-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.64
Rot. Bonds2

About 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 115467723) has the molecular formula C14H6F3N3O and a molecular weight of 289.22 g/mol. Its IUPAC name is 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
PubChem CID115467723
Molecular FormulaC14H6F3N3O
Molecular Weight289.22 g/mol
Exact Mass289.05
IUPAC Name6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2cccc(C#N)n2)c(C(F)(F)F)c1
InChIInChI=1S/C14H6F3N3O/c15-14(16,17)11-6-9(7-18)4-5-12(11)21-13-3-1-2-10(8-19)20-13/h1-6H
InChIKeyFKVUBXFAQDBGJM-UHFFFAOYSA-N
XLogP3.64
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467720
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467623
4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 115467611
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 83267932
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468338
4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817
4-(2-amino-5-chloropyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115468416
4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
CID 66790483
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-(5-aminopyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115467627
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524

Frequently Asked Questions

What is the IUPAC name of 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (CID 115467723) is 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is N#Cc1ccc(Oc2cccc(C#N)n2)c(C(F)(F)F)c1.
What is the InChIKey of 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is FKVUBXFAQDBGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3N3O/c15-14(16,17)11-6-9(7-18)4-5-12(11)21-13-3-1-2-10(8-19)20-13/h1-6H.
What are the key properties of 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 289.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 115467723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).