7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C13H15F3N2O2 — CID 171954455

IUPAC7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cccc(C(F)(F)F)n2)CC2COCC(C1)N2
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)11-3-1-2-10(18-11)12(19)4-8-6-20-7-9(5-12)17-8/h1-3,8-9,17,19H,4-7H2
InChIKeyJMUXWBSGGAPIIT-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.44
Rot. Bonds1

About 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171954455) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171954455
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cccc(C(F)(F)F)n2)CC2COCC(C1)N2
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)11-3-1-2-10(18-11)12(19)4-8-6-20-7-9(5-12)17-8/h1-3,8-9,17,19H,4-7H2
InChIKeyJMUXWBSGGAPIIT-UHFFFAOYSA-N
XLogP1.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171954455) is 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(c2cccc(C(F)(F)F)n2)CC2COCC(C1)N2.
What is the InChIKey of 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is JMUXWBSGGAPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)11-3-1-2-10(18-11)12(19)4-8-6-20-7-9(5-12)17-8/h1-3,8-9,17,19H,4-7H2.
What are the key properties of 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 288.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171954455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).