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

C12H13F3N2 — CID 162745614

IUPAC5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESFC(F)(F)C1(c2ccc(C3CNC3)cn2)CC1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)11(3-4-11)10-2-1-8(7-17-10)9-5-16-6-9/h1-2,7,9,16H,3-6H2
InChIKeyKJZRYEGEHQUPSM-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.36
Rot. Bonds2

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

5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine (PubChem CID 162745614) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine
PubChem CID162745614
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESFC(F)(F)C1(c2ccc(C3CNC3)cn2)CC1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)11(3-4-11)10-2-1-8(7-17-10)9-5-16-6-9/h1-2,7,9,16H,3-6H2
InChIKeyKJZRYEGEHQUPSM-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
The IUPAC name of 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine (CID 162745614) is 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine.
What is the SMILES notation for 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
The canonical SMILES for 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine is FC(F)(F)C1(c2ccc(C3CNC3)cn2)CC1.
What is the InChIKey of 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
The InChIKey is KJZRYEGEHQUPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)11(3-4-11)10-2-1-8(7-17-10)9-5-16-6-9/h1-2,7,9,16H,3-6H2.
What are the key properties of 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine?
5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine has a molecular weight of 242.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine is sourced from PubChem (CID 162745614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).