3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol

C13H18BrNO — CID 104813220

IUPAC3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
SMILESOCC(Cc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-5-6-13(15-8-12)7-11(9-16)10-3-1-2-4-10/h5-6,8,10-11,16H,1-4,7,9H2
InChIKeyRPZJFKKJNKKXNY-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.19
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol

3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol (PubChem CID 104813220) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
PubChem CID104813220
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
SMILESOCC(Cc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-5-6-13(15-8-12)7-11(9-16)10-3-1-2-4-10/h5-6,8,10-11,16H,1-4,7,9H2
InChIKeyRPZJFKKJNKKXNY-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.19
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)-1-cyclohexylethanamine
CID 104801170
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
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
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
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190834
2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol (CID 104813220) is 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol is OCC(Cc1ccc(Br)cn1)C1CCCC1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol?
The InChIKey is RPZJFKKJNKKXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-5-6-13(15-8-12)7-11(9-16)10-3-1-2-4-10/h5-6,8,10-11,16H,1-4,7,9H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol?
3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol is sourced from PubChem (CID 104813220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).