2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

C18H19FN2 — CID 11580045

IUPAC2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESCc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1
InChIInChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
InChIKeyVWMGMJYETMFVTI-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.80
Rot. Bonds2

About 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 11580045) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
PubChem CID11580045
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESCc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1
InChIInChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
InChIKeyVWMGMJYETMFVTI-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.80
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

Deschloroepibatidine
CID 10154265
2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 15265902
2-(2-Fluoro-5-pyridyl)-7-azanorbornane
CID 22468072
2-(6-Methyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44299185
(2R)-2-(6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 44313156
2-(5-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44388226
5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-3-ylamine
CID 44388247
2-(5-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44388266
Rac-2-(6-fluoro-5-(3-nitrophenyl)pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride
CID 44393518
2-[6-Fluoro-5-(4-nitro-phenyl)-pyridin-3-yl]-7-aza-bicyclo[2.2.1]heptane
CID 44393570
4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyridin-3-yl]-benzonitrile
CID 44404226
2-(5-(4-Methanesulphonyl-phenyl)-6-fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 71449747

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (CID 11580045) is 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is Cc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1.
What is the InChIKey of 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is VWMGMJYETMFVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3.
What are the key properties of 2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
2-[6-fluoro-5-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 282.36 g/mol, XLogP of 3.80, 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-(4-methylphenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11580045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).