2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

C17H17FN2 — CID 10423164

IUPAC2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESFc1ncc(C2CC3CCC2N3)cc1-c1ccccc1
InChIInChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
InChIKeyVJEHPMOIYSUGSJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.50
Rot. Bonds2

About 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 10423164) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID10423164
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESFc1ncc(C2CC3CCC2N3)cc1-c1ccccc1
InChIInChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
InChIKeyVJEHPMOIYSUGSJ-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 ≤ 500268.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 10423164) is 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is Fc1ncc(C2CC3CCC2N3)cc1-c1ccccc1.
What is the InChIKey of 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is VJEHPMOIYSUGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2.
What are the key properties of 2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 268.33 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-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10423164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).