7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

C19H19FN2O — CID 71453627

IUPAC7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESFc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1
InChIInChI=1S/C19H19FN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
InChIKeyOHTDTNHLFFCQRH-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.03
Rot. Bonds3

About 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71453627) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71453627
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESFc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1
InChIInChI=1S/C19H19FN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
InChIKeyOHTDTNHLFFCQRH-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sarizotan
CID 6918388
Pilavapadin
CID 118419773
3-[(2s)-Azetidin-2-Ylmethoxy]-5-[(1s,2r)-2-(2-Methoxyethyl)cyclopropyl]pyridine
CID 56951495
TC-2559
CID 9823180
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 56951497
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (CID 71453627) is 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is Fc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1.
What is the InChIKey of 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is OHTDTNHLFFCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2.
What are the key properties of 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 310.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71453627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).