[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone

C19H19FN2O2 — CID 77401769

IUPAC[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H19FN2O2/c20-15-3-1-12(2-4-15)13-7-16-5-6-17(8-13)22(16)19(24)14-9-18(23)11-21-10-14/h1-4,9-11,13,16-17,23H,5-8H2
InChIKeyRIBKRTZLTGHDOT-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.48
Rot. Bonds2

About [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone

[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 77401769) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID77401769
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H19FN2O2/c20-15-3-1-12(2-4-15)13-7-16-5-6-17(8-13)22(16)19(24)14-9-18(23)11-21-10-14/h1-4,9-11,13,16-17,23H,5-8H2
InChIKeyRIBKRTZLTGHDOT-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 77401769) is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone is O=C(c1cncc(O)c1)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is RIBKRTZLTGHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-3-1-12(2-4-15)13-7-16-5-6-17(8-13)22(16)19(24)14-9-18(23)11-21-10-14/h1-4,9-11,13,16-17,23H,5-8H2.
What are the key properties of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone?
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 326.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 77401769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).