2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine

C9H9F3N2 — CID 71302276

IUPAC2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(C2CNC2)nc1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)7-1-2-8(14-5-7)6-3-13-4-6/h1-2,5-6,13H,3-4H2
InChIKeyVTOMIJLPOWJWGB-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.79
Rot. Bonds1

About 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine

2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine (PubChem CID 71302276) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine
PubChem CID71302276
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(C2CNC2)nc1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)7-1-2-8(14-5-7)6-3-13-4-6/h1-2,5-6,13H,3-4H2
InChIKeyVTOMIJLPOWJWGB-UHFFFAOYSA-N
XLogP1.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine;hydrochloride
CID 171371651
N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 141399085
8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
CID 67234325
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
CID 71651587
2-(azetidin-3-yl)-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 162745525
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
CID 63703434
2-(azetidin-3-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 171093000
5-(azetidin-3-yl)-2-cyclopropylpyridine
CID 171773512
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
CID 166003209
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479090

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine (CID 71302276) is 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is VTOMIJLPOWJWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)7-1-2-8(14-5-7)6-3-13-4-6/h1-2,5-6,13H,3-4H2.
What are the key properties of 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine?
2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 202.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71302276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).