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

C14H17F3N2O — CID 171954470

IUPAC3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ncccc2C(F)(F)F)CC2CCCC(C1)N2
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-2-6-18-12(11)13(20)7-9-3-1-4-10(8-13)19-9/h2,5-6,9-10,19-20H,1,3-4,7-8H2
InChIKeyTVIDKIVJWGIUIM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.59
Rot. Bonds1

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

3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171954470) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171954470
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ncccc2C(F)(F)F)CC2CCCC(C1)N2
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-2-6-18-12(11)13(20)7-9-3-1-4-10(8-13)19-9/h2,5-6,9-10,19-20H,1,3-4,7-8H2
InChIKeyTVIDKIVJWGIUIM-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171954470) is 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2ncccc2C(F)(F)F)CC2CCCC(C1)N2.
What is the InChIKey of 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is TVIDKIVJWGIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-5-2-6-18-12(11)13(20)7-9-3-1-4-10(8-13)19-9/h2,5-6,9-10,19-20H,1,3-4,7-8H2.
What are the key properties of 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol?
3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 286.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171954470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).