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

C19H19FN2O2 — CID 650461

IUPAC[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C2CCC1CC(O)(c1ccc(F)cc1)C2
InChIInChI=1S/C19H19FN2O2/c20-15-5-3-14(4-6-15)19(24)10-16-7-8-17(11-19)22(16)18(23)13-2-1-9-21-12-13/h1-6,9,12,16-17,24H,7-8,10-11H2
InChIKeyXSBWTBFNROMVOY-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.88
Rot. Bonds2

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

[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone (PubChem CID 650461) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
PubChem CID650461
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C2CCC1CC(O)(c1ccc(F)cc1)C2
InChIInChI=1S/C19H19FN2O2/c20-15-5-3-14(4-6-15)19(24)10-16-7-8-17(11-19)22(16)18(23)13-2-1-9-21-12-13/h1-6,9,12,16-17,24H,7-8,10-11H2
InChIKeyXSBWTBFNROMVOY-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone (CID 650461) is [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1C2CCC1CC(O)(c1ccc(F)cc1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone?
The InChIKey is XSBWTBFNROMVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-5-3-14(4-6-15)19(24)10-16-7-8-17(11-19)22(16)18(23)13-2-1-9-21-12-13/h1-6,9,12,16-17,24H,7-8,10-11H2.
What are the key properties of [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone?
[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone has a molecular weight of 326.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 650461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).