4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

C15H11F3N2O — CID 60710510

IUPAC4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F3N2O/c1-9-6-10(2)20-14(13(9)8-19)21-12-5-3-4-11(7-12)15(16,17)18/h3-7H,1-2H3
InChIKeyFEMSCCIARKVUDG-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.38
Rot. Bonds2

About 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 60710510) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID60710510
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F3N2O/c1-9-6-10(2)20-14(13(9)8-19)21-12-5-3-4-11(7-12)15(16,17)18/h3-7H,1-2H3
InChIKeyFEMSCCIARKVUDG-UHFFFAOYSA-N
XLogP4.38
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 60710510) is 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is FEMSCCIARKVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-9-6-10(2)20-14(13(9)8-19)21-12-5-3-4-11(7-12)15(16,17)18/h3-7H,1-2H3.
What are the key properties of 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 60710510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).