2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone

C19H19F3N2O2 — CID 161322589

IUPAC2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone
SMILESO=C(Cc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1cccnc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)12-26-18-16(14-4-1-2-5-14)8-13(10-24-18)9-17(25)15-6-3-7-23-11-15/h3,6-8,10-11,14H,1-2,4-5,9,12H2
InChIKeyVKIMHWFVQUPVTB-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.50
Rot. Bonds6

About 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone

2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone (PubChem CID 161322589) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone
PubChem CID161322589
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone
SMILESO=C(Cc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1cccnc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)12-26-18-16(14-4-1-2-5-14)8-13(10-24-18)9-17(25)15-6-3-7-23-11-15/h3,6-8,10-11,14H,1-2,4-5,9,12H2
InChIKeyVKIMHWFVQUPVTB-UHFFFAOYSA-N
XLogP4.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone (CID 161322589) is 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone is O=C(Cc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1cccnc1.
What is the InChIKey of 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone?
The InChIKey is VKIMHWFVQUPVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)12-26-18-16(14-4-1-2-5-14)8-13(10-24-18)9-17(25)15-6-3-7-23-11-15/h3,6-8,10-11,14H,1-2,4-5,9,12H2.
What are the key properties of 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone?
2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone has a molecular weight of 364.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyridin-3-ylethanone is sourced from PubChem (CID 161322589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).