7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

C14H17FN2 — CID 71460792

IUPAC7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3ccc(F)nc3)CC(C2)C1
InChIInChI=1S/C14H17FN2/c1-17-8-10-4-11(9-17)6-13(5-10)12-2-3-14(15)16-7-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3
InChIKeyGITHBFKKVBHLFE-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.58
Rot. Bonds1

About 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71460792) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71460792
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3ccc(F)nc3)CC(C2)C1
InChIInChI=1S/C14H17FN2/c1-17-8-10-4-11(9-17)6-13(5-10)12-2-3-14(15)16-7-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3
InChIKeyGITHBFKKVBHLFE-UHFFFAOYSA-N
XLogP2.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (CID 71460792) is 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is CN1CC2C=C(c3ccc(F)nc3)CC(C2)C1.
What is the InChIKey of 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is GITHBFKKVBHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17-8-10-4-11(9-17)6-13(5-10)12-2-3-14(15)16-7-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3.
What are the key properties of 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 232.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71460792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).