7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C13H17FN2O2 — CID 171964614

IUPAC7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(c1ccncc1F)C2
InChIInChI=1S/C13H17FN2O2/c1-16-9-4-13(17,5-10(16)8-18-7-9)11-2-3-15-6-12(11)14/h2-3,6,9-10,17H,4-5,7-8H2,1H3
InChIKeyQAUPNGONUOIKRT-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.90
Rot. Bonds1

About 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171964614) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171964614
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(c1ccncc1F)C2
InChIInChI=1S/C13H17FN2O2/c1-16-9-4-13(17,5-10(16)8-18-7-9)11-2-3-15-6-12(11)14/h2-3,6,9-10,17H,4-5,7-8H2,1H3
InChIKeyQAUPNGONUOIKRT-UHFFFAOYSA-N
XLogP0.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171964614) is 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CN1C2COCC1CC(O)(c1ccncc1F)C2.
What is the InChIKey of 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is QAUPNGONUOIKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16-9-4-13(17,5-10(16)8-18-7-9)11-2-3-15-6-12(11)14/h2-3,6,9-10,17H,4-5,7-8H2,1H3.
What are the key properties of 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 252.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171964614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).