4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine

C20H17F3N2O — CID 10498593

IUPAC4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccccc2)c1-c1ncccc1C
InChIInChI=1S/C20H17F3N2O/c1-3-26-15-12-16(20(21,22)23)25-19(14-9-5-4-6-10-14)17(15)18-13(2)8-7-11-24-18/h4-12H,3H2,1-2H3
InChIKeyNKYVOEZZRBTQOD-UHFFFAOYSA-N
MW358.36 g/mol
LogP5.54
Rot. Bonds4

About 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine

4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine (PubChem CID 10498593) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine
PubChem CID10498593
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccccc2)c1-c1ncccc1C
InChIInChI=1S/C20H17F3N2O/c1-3-26-15-12-16(20(21,22)23)25-19(14-9-5-4-6-10-14)17(15)18-13(2)8-7-11-24-18/h4-12H,3H2,1-2H3
InChIKeyNKYVOEZZRBTQOD-UHFFFAOYSA-N
XLogP5.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine (CID 10498593) is 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine is CCOc1cc(C(F)(F)F)nc(-c2ccccc2)c1-c1ncccc1C.
What is the InChIKey of 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine?
The InChIKey is NKYVOEZZRBTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-3-26-15-12-16(20(21,22)23)25-19(14-9-5-4-6-10-14)17(15)18-13(2)8-7-11-24-18/h4-12H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine?
4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine has a molecular weight of 358.36 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(3-methyl-2-pyridinyl)-2-phenyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 10498593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).