7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane

C11H14FN3 — CID 22647177

IUPAC7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
SMILESFc1cncc(N2CC3CNCCC32)c1
InChIInChI=1S/C11H14FN3/c12-9-3-10(6-14-5-9)15-7-8-4-13-2-1-11(8)15/h3,5-6,8,11,13H,1-2,4,7H2
InChIKeyDLRFLULJVWWCSZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.02
Rot. Bonds1

About 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane

7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane (PubChem CID 22647177) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
PubChem CID22647177
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
SMILESFc1cncc(N2CC3CNCCC32)c1
InChIInChI=1S/C11H14FN3/c12-9-3-10(6-14-5-9)15-7-8-4-13-2-1-11(8)15/h3,5-6,8,11,13H,1-2,4,7H2
InChIKeyDLRFLULJVWWCSZ-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane?
The IUPAC name of 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane (CID 22647177) is 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane.
What is the SMILES notation for 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane?
The canonical SMILES for 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane is Fc1cncc(N2CC3CNCCC32)c1.
What is the InChIKey of 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane?
The InChIKey is DLRFLULJVWWCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-9-3-10(6-14-5-9)15-7-8-4-13-2-1-11(8)15/h3,5-6,8,11,13H,1-2,4,7H2.
What are the key properties of 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane?
7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane has a molecular weight of 207.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 22647177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).