2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

C13H16F3N3 — CID 162745525

IUPAC2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2ccc(C3CNC3)nc2)C1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)10-3-4-19(8-10)11-1-2-12(18-7-11)9-5-17-6-9/h1-2,7,9-10,17H,3-6,8H2
InChIKeyQUBDXYNIUXCPHT-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.16
Rot. Bonds2

About 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 162745525) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
PubChem CID162745525
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2ccc(C3CNC3)nc2)C1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)10-3-4-19(8-10)11-1-2-12(18-7-11)9-5-17-6-9/h1-2,7,9-10,17H,3-6,8H2
InChIKeyQUBDXYNIUXCPHT-UHFFFAOYSA-N
XLogP2.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (CID 162745525) is 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is FC(F)(F)C1CCN(c2ccc(C3CNC3)nc2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is QUBDXYNIUXCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)10-3-4-19(8-10)11-1-2-12(18-7-11)9-5-17-6-9/h1-2,7,9-10,17H,3-6,8H2.
What are the key properties of 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 271.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 162745525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).