1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol

C13H16BrNO — CID 115833185

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)C1CC2CC2C1
InChIInChI=1S/C13H16BrNO/c14-11-1-2-12(15-7-11)6-13(16)10-4-8-3-9(8)5-10/h1-2,7-10,13,16H,3-6H2
InChIKeyKPUWBIIJCAKTFU-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol

1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol (PubChem CID 115833185) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
PubChem CID115833185
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)C1CC2CC2C1
InChIInChI=1S/C13H16BrNO/c14-11-1-2-12(15-7-11)6-13(16)10-4-8-3-9(8)5-10/h1-2,7-10,13,16H,3-6H2
InChIKeyKPUWBIIJCAKTFU-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol with MolForge

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Related Compounds

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2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
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CID 104800606
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
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CID 104801170
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CID 174649547
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CID 107978662

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol (CID 115833185) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol is OC(Cc1ccc(Br)cn1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol?
The InChIKey is KPUWBIIJCAKTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-1-2-12(15-7-11)6-13(16)10-4-8-3-9(8)5-10/h1-2,7-10,13,16H,3-6H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol?
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol has a molecular weight of 282.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol is sourced from PubChem (CID 115833185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).