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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Related Compounds

(1S,6S)-7-(5,6-dichloro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 87137238
7-(6-chloro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 22647012
(1S,6S)-7-(6-methyl-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 66757627
6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine
CID 66758095
(3aS,7aS)-4-(5-fluoro-3-pyridinyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 66757969
5-(5-fluoro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 22647181
6-(5-ethynyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 22646869
(1S,5R)-3-(5-fluoro-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422963
1-(5-fluoro-3-pyridinyl)pyrrolidin-2-amine
CID 69205439
(3aS,7aR)-1-(5-chloro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 169123246
(3aR,6aS)-5-[(5-fluoro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660916
8-(4-methylphenyl)-3,8-diazabicyclo[4.2.0]octane
CID 70266351

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).