[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol

C11H13BrN2O — CID 67297729

IUPAC[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
SMILESOCC1CC2CC2N1c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O/c12-8-3-9(5-13-4-8)14-10(6-15)1-7-2-11(7)14/h3-5,7,10-11,15H,1-2,6H2
InChIKeyFMYKNSNXGZCBAH-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.80
Rot. Bonds2

About [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol

[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol (PubChem CID 67297729) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
PubChem CID67297729
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
SMILESOCC1CC2CC2N1c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O/c12-8-3-9(5-13-4-8)14-10(6-15)1-7-2-11(7)14/h3-5,7,10-11,15H,1-2,6H2
InChIKeyFMYKNSNXGZCBAH-UHFFFAOYSA-N
XLogP1.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol (CID 67297729) is [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol is OCC1CC2CC2N1c1cncc(Br)c1.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
The InChIKey is FMYKNSNXGZCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-8-3-9(5-13-4-8)14-10(6-15)1-7-2-11(7)14/h3-5,7,10-11,15H,1-2,6H2.
What are the key properties of [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol?
[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol has a molecular weight of 269.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol is sourced from PubChem (CID 67297729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).