8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane

C11H14FN3 — CID 122507854

IUPAC8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
SMILESFc1cc(N2C3CCC2CNC3)ccn1
InChIInChI=1S/C11H14FN3/c12-11-5-8(3-4-14-11)15-9-1-2-10(15)7-13-6-9/h3-5,9-10,13H,1-2,6-7H2
InChIKeyFMJODMXKMKWFRM-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.16
Rot. Bonds1

About 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane

8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 122507854) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID122507854
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
SMILESFc1cc(N2C3CCC2CNC3)ccn1
InChIInChI=1S/C11H14FN3/c12-11-5-8(3-4-14-11)15-9-1-2-10(15)7-13-6-9/h3-5,9-10,13H,1-2,6-7H2
InChIKeyFMJODMXKMKWFRM-UHFFFAOYSA-N
XLogP1.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.16
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 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane (CID 122507854) is 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane is Fc1cc(N2C3CCC2CNC3)ccn1.
What is the InChIKey of 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FMJODMXKMKWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-11-5-8(3-4-14-11)15-9-1-2-10(15)7-13-6-9/h3-5,9-10,13H,1-2,6-7H2.
What are the key properties of 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 207.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 122507854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).