3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine

C12H15F3N2O — CID 166104920

IUPAC3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine
SMILESC1NCC2CC12.COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NO.C5H9N/c1-12-6-4-2-3-5(11-6)7(8,9)10;1-4-2-6-3-5(1)4/h2-4H,1H3;4-6H,1-3H2
InChIKeyNWWPSLIHVRVJEP-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.33
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine

3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 166104920) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine
PubChem CID166104920
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine
SMILESC1NCC2CC12.COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3NO.C5H9N/c1-12-6-4-2-3-5(11-6)7(8,9)10;1-4-2-6-3-5(1)4/h2-4H,1H3;4-6H,1-3H2
InChIKeyNWWPSLIHVRVJEP-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine (CID 166104920) is 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine is C1NCC2CC12.COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is NWWPSLIHVRVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C5H9N/c1-12-6-4-2-3-5(11-6)7(8,9)10;1-4-2-6-3-5(1)4/h2-4H,1H3;4-6H,1-3H2.
What are the key properties of 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine?
3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane;2-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 166104920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).