2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine

C9H13FN2 — CID 90228824

IUPAC2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine
SMILESCN1C=C(F)C=CC1C1CNC1
InChIInChI=1S/C9H13FN2/c1-12-6-8(10)2-3-9(12)7-4-11-5-7/h2-3,6-7,9,11H,4-5H2,1H3
InChIKeyXNZHRGWAMWHRLK-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.89
Rot. Bonds1

About 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine

2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine (PubChem CID 90228824) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine
PubChem CID90228824
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine
SMILESCN1C=C(F)C=CC1C1CNC1
InChIInChI=1S/C9H13FN2/c1-12-6-8(10)2-3-9(12)7-4-11-5-7/h2-3,6-7,9,11H,4-5H2,1H3
InChIKeyXNZHRGWAMWHRLK-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine?
The IUPAC name of 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine (CID 90228824) is 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine?
The canonical SMILES for 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine is CN1C=C(F)C=CC1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine?
The InChIKey is XNZHRGWAMWHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-12-6-8(10)2-3-9(12)7-4-11-5-7/h2-3,6-7,9,11H,4-5H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine?
2-(azetidin-3-yl)-5-fluoro-1-methyl-2H-pyridine has a molecular weight of 168.22 g/mol, XLogP of 0.89, 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-fluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 90228824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).