2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol

C15H22BrNO — CID 104800459

IUPAC2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
SMILESOC(Cc1ccc(Br)cn1)C1CCCCCCC1
InChIInChI=1S/C15H22BrNO/c16-13-8-9-14(17-11-13)10-15(18)12-6-4-2-1-3-5-7-12/h8-9,11-12,15,18H,1-7,10H2
InChIKeyBTAMVUFHYDEJNY-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.11
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol

2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol (PubChem CID 104800459) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
PubChem CID104800459
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
SMILESOC(Cc1ccc(Br)cn1)C1CCCCCCC1
InChIInChI=1S/C15H22BrNO/c16-13-8-9-14(17-11-13)10-15(18)12-6-4-2-1-3-5-7-12/h8-9,11-12,15,18H,1-7,10H2
InChIKeyBTAMVUFHYDEJNY-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
CID 104813220
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833185
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480
2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
CID 63873450
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
2-(5-bromo-2-pyridinyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethanol
CID 104800533
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
5-bromo-2-(cyclohexylsulfanylmethyl)pyridine
CID 115622306

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol (CID 104800459) is 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol is OC(Cc1ccc(Br)cn1)C1CCCCCCC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol?
The InChIKey is BTAMVUFHYDEJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-13-8-9-14(17-11-13)10-15(18)12-6-4-2-1-3-5-7-12/h8-9,11-12,15,18H,1-7,10H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol?
2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol has a molecular weight of 312.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol is sourced from PubChem (CID 104800459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).