2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol

C13H18BrNO2 — CID 104800613

IUPAC2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cn2)CCCC1
InChIInChI=1S/C13H18BrNO2/c1-17-13(6-2-3-7-13)12(16)8-11-5-4-10(14)9-15-11/h4-5,9,12,16H,2-3,6-8H2,1H3
InChIKeyHZPJQIYTIKUJTG-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.71
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol (PubChem CID 104800613) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
PubChem CID104800613
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cn2)CCCC1
InChIInChI=1S/C13H18BrNO2/c1-17-13(6-2-3-7-13)12(16)8-11-5-4-10(14)9-15-11/h4-5,9,12,16H,2-3,6-8H2,1H3
InChIKeyHZPJQIYTIKUJTG-UHFFFAOYSA-N
XLogP2.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclopentyl)-2-pyridin-2-ylethanol
CID 104610358
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
1-(1-adamantyl)-2-(5-bromo-2-pyridinyl)ethanol
CID 104800037
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol (CID 104800613) is 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol is COC1(C(O)Cc2ccc(Br)cn2)CCCC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol?
The InChIKey is HZPJQIYTIKUJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-13(6-2-3-7-13)12(16)8-11-5-4-10(14)9-15-11/h4-5,9,12,16H,2-3,6-8H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol has a molecular weight of 300.20 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol is sourced from PubChem (CID 104800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).