2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H14F3N3O — CID 78966041

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-4-1-8(7-18)13(19-12)20-9-2-3-10(20)6-11(21)5-9/h1,4,9-11,21H,2-3,5-6H2
InChIKeyZBJJTDKSVAHVGX-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.46
Rot. Bonds1

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966041) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966041
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-4-1-8(7-18)13(19-12)20-9-2-3-10(20)6-11(21)5-9/h1,4,9-11,21H,2-3,5-6H2
InChIKeyZBJJTDKSVAHVGX-UHFFFAOYSA-N
XLogP2.46
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966041) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZBJJTDKSVAHVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)12-4-1-8(7-18)13(19-12)20-9-2-3-10(20)6-11(21)5-9/h1,4,9-11,21H,2-3,5-6H2.
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).