3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine

C11H12FN3 — CID 105457237

IUPAC3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine
SMILESFc1cccc2cnc(CC3CNC3)n12
InChIInChI=1S/C11H12FN3/c12-10-3-1-2-9-7-14-11(15(9)10)4-8-5-13-6-8/h1-3,7-8,13H,4-6H2
InChIKeySPWZJGLKDUVGRQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.24
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine

3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine (PubChem CID 105457237) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine
PubChem CID105457237
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine
SMILESFc1cccc2cnc(CC3CNC3)n12
InChIInChI=1S/C11H12FN3/c12-10-3-1-2-9-7-14-11(15(9)10)4-8-5-13-6-8/h1-3,7-8,13H,4-6H2
InChIKeySPWZJGLKDUVGRQ-UHFFFAOYSA-N
XLogP1.24
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine?
The IUPAC name of 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine (CID 105457237) is 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine is Fc1cccc2cnc(CC3CNC3)n12.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine?
The InChIKey is SPWZJGLKDUVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-3-1-2-9-7-14-11(15(9)10)4-8-5-13-6-8/h1-3,7-8,13H,4-6H2.
What are the key properties of 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine?
3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine has a molecular weight of 205.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-5-fluoroimidazo[1,5-a]pyridine is sourced from PubChem (CID 105457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).