2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine

C14H13F3N2O — CID 23380576

IUPAC2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCc2ccccn2)n1
InChIInChI=1S/C14H13F3N2O/c1-10-8-11(14(15,16)17)9-13(19-10)20-7-5-12-4-2-3-6-18-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyYHXVNHPZBHLUJT-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380576) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380576
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCc2ccccn2)n1
InChIInChI=1S/C14H13F3N2O/c1-10-8-11(14(15,16)17)9-13(19-10)20-7-5-12-4-2-3-6-18-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeyYHXVNHPZBHLUJT-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine (CID 23380576) is 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCCc2ccccn2)n1.
What is the InChIKey of 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is YHXVNHPZBHLUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-10-8-11(14(15,16)17)9-13(19-10)20-7-5-12-4-2-3-6-18-12/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 282.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).