2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H19F3N2O — CID 79876034

IUPAC2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCCC(CC)COc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C15H19F3N2O/c1-3-5-6-11(4-2)10-21-14-12(9-19)7-8-13(20-14)15(16,17)18/h7-8,11H,3-6,10H2,1-2H3
InChIKeyGFOSZPPJGZSPET-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.57
Rot. Bonds7

About 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876034) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876034
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCCC(CC)COc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C15H19F3N2O/c1-3-5-6-11(4-2)10-21-14-12(9-19)7-8-13(20-14)15(16,17)18/h7-8,11H,3-6,10H2,1-2H3
InChIKeyGFOSZPPJGZSPET-UHFFFAOYSA-N
XLogP4.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
CID 82955844
2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877373
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515
2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103177581
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873398
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]pentyl-methylcarbamic acid
CID 91430167
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
2-(furan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869558
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966431

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876034) is 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is CCCCC(CC)COc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is GFOSZPPJGZSPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-5-6-11(4-2)10-21-14-12(9-19)7-8-13(20-14)15(16,17)18/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).