7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane

C13H15FN2O — CID 146513647

IUPAC7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane
SMILESCN1CC2CC23CC(Oc2ccc(F)cn2)C13
InChIInChI=1S/C13H15FN2O/c1-16-7-8-4-13(8)5-10(12(13)16)17-11-3-2-9(14)6-15-11/h2-3,6,8,10,12H,4-5,7H2,1H3
InChIKeyACOPAKNLVHSLHI-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.69
Rot. Bonds2

About 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane

7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane (PubChem CID 146513647) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane.

Molecular Properties

Compound Name7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane
PubChem CID146513647
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane
SMILESCN1CC2CC23CC(Oc2ccc(F)cn2)C13
InChIInChI=1S/C13H15FN2O/c1-16-7-8-4-13(8)5-10(12(13)16)17-11-3-2-9(14)6-15-11/h2-3,6,8,10,12H,4-5,7H2,1H3
InChIKeyACOPAKNLVHSLHI-UHFFFAOYSA-N
XLogP1.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane 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 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane?
The IUPAC name of 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane (CID 146513647) is 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane.
What is the SMILES notation for 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane?
The canonical SMILES for 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane is CN1CC2CC23CC(Oc2ccc(F)cn2)C13.
What is the InChIKey of 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane?
The InChIKey is ACOPAKNLVHSLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-7-8-4-13(8)5-10(12(13)16)17-11-3-2-9(14)6-15-11/h2-3,6,8,10,12H,4-5,7H2,1H3.
What are the key properties of 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane?
7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane has a molecular weight of 234.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-pyridinyl)oxy]-5-methyl-5-azatricyclo[4.2.0.01,3]octane is sourced from PubChem (CID 146513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).