2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H11F3N2O — CID 79876010

IUPAC2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccc(Oc2nc(C(F)(F)F)ccc2C#N)cc1C
InChIInChI=1S/C15H11F3N2O/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h3-7H,1-2H3
InChIKeyMORRLYGZOPLPEX-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.38
Rot. Bonds2

About 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876010) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876010
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccc(Oc2nc(C(F)(F)F)ccc2C#N)cc1C
InChIInChI=1S/C15H11F3N2O/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h3-7H,1-2H3
InChIKeyMORRLYGZOPLPEX-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 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876010) is 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1ccc(Oc2nc(C(F)(F)F)ccc2C#N)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MORRLYGZOPLPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h3-7H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)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 2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).