2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol

C17H26BrNO — CID 115833225

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
SMILESCCCCC1CCC(C(O)Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-3-4-13-5-7-14(8-6-13)17(20)11-16-10-9-15(18)12-19-16/h9-10,12-14,17,20H,2-8,11H2,1H3
InChIKeyMNKZVLVXFRITQL-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.74
Rot. Bonds6

About 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol (PubChem CID 115833225) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
PubChem CID115833225
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
SMILESCCCCC1CCC(C(O)Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-3-4-13-5-7-14(8-6-13)17(20)11-16-10-9-15(18)12-19-16/h9-10,12-14,17,20H,2-8,11H2,1H3
InChIKeyMNKZVLVXFRITQL-UHFFFAOYSA-N
XLogP4.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
CID 104800459
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833185
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
CID 104813220
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol (CID 115833225) is 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol is CCCCC1CCC(C(O)Cc2ccc(Br)cn2)CC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol?
The InChIKey is MNKZVLVXFRITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-3-4-13-5-7-14(8-6-13)17(20)11-16-10-9-15(18)12-19-16/h9-10,12-14,17,20H,2-8,11H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol has a molecular weight of 340.31 g/mol, XLogP of 4.74, 6 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-(4-butylcyclohexyl)ethanol is sourced from PubChem (CID 115833225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).