2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol

C14H20BrNO — CID 104800221

IUPAC2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
SMILESOC(Cc1cncc(Br)c1)C1CCCCCC1
InChIInChI=1S/C14H20BrNO/c15-13-7-11(9-16-10-13)8-14(17)12-5-3-1-2-4-6-12/h7,9-10,12,14,17H,1-6,8H2
InChIKeyYZPAAQQXHOITFW-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.72
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol

2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol (PubChem CID 104800221) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
PubChem CID104800221
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
SMILESOC(Cc1cncc(Br)c1)C1CCCCCC1
InChIInChI=1S/C14H20BrNO/c15-13-7-11(9-16-10-13)8-14(17)12-5-3-1-2-4-6-12/h7,9-10,12,14,17H,1-6,8H2
InChIKeyYZPAAQQXHOITFW-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol
CID 104802357
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 104800243
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
1-cyclohexyl-2-pyridin-4-ylethanol
CID 62552593
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
CID 104810190

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol (CID 104800221) is 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol is OC(Cc1cncc(Br)c1)C1CCCCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol?
The InChIKey is YZPAAQQXHOITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-7-11(9-16-10-13)8-14(17)12-5-3-1-2-4-6-12/h7,9-10,12,14,17H,1-6,8H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol?
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol has a molecular weight of 298.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol is sourced from PubChem (CID 104800221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).