[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone

C19H19FN2O — CID 16668636

IUPAC[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H19FN2O/c20-15-6-4-13(5-7-15)14-11-16-8-9-17(12-14)22(16)19(23)18-3-1-2-10-21-18/h1-7,10,14,16-17H,8-9,11-12H2
InChIKeyVDGSZCNWIVMSDQ-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.77
Rot. Bonds2

About [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone

[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone (PubChem CID 16668636) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone
PubChem CID16668636
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H19FN2O/c20-15-6-4-13(5-7-15)14-11-16-8-9-17(12-14)22(16)19(23)18-3-1-2-10-21-18/h1-7,10,14,16-17H,8-9,11-12H2
InChIKeyVDGSZCNWIVMSDQ-UHFFFAOYSA-N
XLogP3.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone (CID 16668636) is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone?
The InChIKey is VDGSZCNWIVMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-15-6-4-13(5-7-15)14-11-16-8-9-17(12-14)22(16)19(23)18-3-1-2-10-21-18/h1-7,10,14,16-17H,8-9,11-12H2.
What are the key properties of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone?
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone has a molecular weight of 310.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 16668636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).