ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine

C11H17FN2 — CID 171624714

IUPACethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine
SMILESCC.Cc1cccc(C2(F)CNC2)n1
InChIInChI=1S/C9H11FN2.C2H6/c1-7-3-2-4-8(12-7)9(10)5-11-6-9;1-2/h2-4,11H,5-6H2,1H3;1-2H3
InChIKeyGKZLYLLSWBEFDZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.18
Rot. Bonds1

About ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine

ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine (PubChem CID 171624714) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine.

Molecular Properties

Compound Nameethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine
PubChem CID171624714
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Nameethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine
SMILESCC.Cc1cccc(C2(F)CNC2)n1
InChIInChI=1S/C9H11FN2.C2H6/c1-7-3-2-4-8(12-7)9(10)5-11-6-9;1-2/h2-4,11H,5-6H2,1H3;1-2H3
InChIKeyGKZLYLLSWBEFDZ-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine?
The IUPAC name of ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine (CID 171624714) is ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine.
What is the SMILES notation for ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine?
The canonical SMILES for ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine is CC.Cc1cccc(C2(F)CNC2)n1.
What is the InChIKey of ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine?
The InChIKey is GKZLYLLSWBEFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2.C2H6/c1-7-3-2-4-8(12-7)9(10)5-11-6-9;1-2/h2-4,11H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine?
ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine has a molecular weight of 196.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluoroazetidin-3-yl)-6-methylpyridine is sourced from PubChem (CID 171624714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).