2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol

C14H20BrNO2 — CID 116753226

IUPAC2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
SMILESCCOC1(C(O)Cc2cncc(Br)c2)CCCC1
InChIInChI=1S/C14H20BrNO2/c1-2-18-14(5-3-4-6-14)13(17)8-11-7-12(15)10-16-9-11/h7,9-10,13,17H,2-6,8H2,1H3
InChIKeyXJWYAPFHRHSGGS-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.10
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol

2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol (PubChem CID 116753226) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
PubChem CID116753226
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
SMILESCCOC1(C(O)Cc2cncc(Br)c2)CCCC1
InChIInChI=1S/C14H20BrNO2/c1-2-18-14(5-3-4-6-14)13(17)8-11-7-12(15)10-16-9-11/h7,9-10,13,17H,2-6,8H2,1H3
InChIKeyXJWYAPFHRHSGGS-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol
CID 116754077
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105126484
2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756060
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753002
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol (CID 116753226) is 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol is CCOC1(C(O)Cc2cncc(Br)c2)CCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol?
The InChIKey is XJWYAPFHRHSGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-18-14(5-3-4-6-14)13(17)8-11-7-12(15)10-16-9-11/h7,9-10,13,17H,2-6,8H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol is sourced from PubChem (CID 116753226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).