[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol

C11H11BrF2N2O — CID 156825854

IUPAC[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3C(C2)C3(F)F)nc1Br
InChIInChI=1S/C11H11BrF2N2O/c12-10-6(5-17)1-2-9(15-10)16-3-7-8(4-16)11(7,13)14/h1-2,7-8,17H,3-5H2
InChIKeyIVZYMFZPHDTABL-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.04
Rot. Bonds2

About [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol

[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol (PubChem CID 156825854) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
PubChem CID156825854
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3C(C2)C3(F)F)nc1Br
InChIInChI=1S/C11H11BrF2N2O/c12-10-6(5-17)1-2-9(15-10)16-3-7-8(4-16)11(7,13)14/h1-2,7-8,17H,3-5H2
InChIKeyIVZYMFZPHDTABL-UHFFFAOYSA-N
XLogP2.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
The IUPAC name of [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol (CID 156825854) is [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol is OCc1ccc(N2CC3C(C2)C3(F)F)nc1Br.
What is the InChIKey of [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
The InChIKey is IVZYMFZPHDTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c12-10-6(5-17)1-2-9(15-10)16-3-7-8(4-16)11(7,13)14/h1-2,7-8,17H,3-5H2.
What are the key properties of [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol has a molecular weight of 305.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 156825854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).