[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol

C12H13F3N2O — CID 129078737

IUPAC[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3CC3C2)nc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)11-7(6-18)1-2-10(16-11)17-4-8-3-9(8)5-17/h1-2,8-9,18H,3-6H2
InChIKeyGINZYGDAGXKQRF-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.05
Rot. Bonds2

About [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 129078737) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID129078737
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3CC3C2)nc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)11-7(6-18)1-2-10(16-11)17-4-8-3-9(8)5-17/h1-2,8-9,18H,3-6H2
InChIKeyGINZYGDAGXKQRF-UHFFFAOYSA-N
XLogP2.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol (CID 129078737) is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol is OCc1ccc(N2CC3CC3C2)nc1C(F)(F)F.
What is the InChIKey of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GINZYGDAGXKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)11-7(6-18)1-2-10(16-11)17-4-8-3-9(8)5-17/h1-2,8-9,18H,3-6H2.
What are the key properties of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 258.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 129078737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).