2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H17F3N2O — CID 79876333

IUPAC2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCC(Oc2nc(C(F)(F)F)ccc2C#N)CC1C
InChIInChI=1S/C15H17F3N2O/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h4,6,9-10,12H,3,5,7H2,1-2H3
InChIKeyQWSRCZSQVQXIQW-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.18
Rot. Bonds2

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

2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876333) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876333
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCC(Oc2nc(C(F)(F)F)ccc2C#N)CC1C
InChIInChI=1S/C15H17F3N2O/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h4,6,9-10,12H,3,5,7H2,1-2H3
InChIKeyQWSRCZSQVQXIQW-UHFFFAOYSA-N
XLogP4.18
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876333) is 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCC(Oc2nc(C(F)(F)F)ccc2C#N)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QWSRCZSQVQXIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9-3-5-12(7-10(9)2)21-14-11(8-19)4-6-13(20-14)15(16,17)18/h4,6,9-10,12H,3,5,7H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).