2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

C17H17FN2 — CID 24936130

IUPAC2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1
InChIInChI=1S/C17H17FN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2
InChIKeyDQRUGLBIIAFVGG-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.50
Rot. Bonds2

About 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 24936130) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
PubChem CID24936130
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1
InChIInChI=1S/C17H17FN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2
InChIKeyDQRUGLBIIAFVGG-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Epibatidine
CID 854023
(-)-Epibatidine-L-tartrate
CID 1204
Deschloroepibatidine
CID 10154265
(S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44297526
(1S,2S,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 3073763
(R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 10176670
2-[6-Fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 11580045
2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 15265902
2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 22468064
2-(2-Fluoro-5-pyridyl)-7-azanorbornane
CID 22468072
2-(5-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 22468080
Epibatidine Dihydrochloride
CID 24833897

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (CID 24936130) is 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is Fc1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is DQRUGLBIIAFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 268.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 24936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).