1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol

C12H18BrNO — CID 82919855

IUPAC1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-9(4-2)5-12(15)10-6-11(13)8-14-7-10/h6-9,12,15H,3-5H2,1-2H3
InChIKeyUKWWIDGBSCQXPQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.70
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol

1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol (PubChem CID 82919855) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
PubChem CID82919855
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-9(4-2)5-12(15)10-6-11(13)8-14-7-10/h6-9,12,15H,3-5H2,1-2H3
InChIKeyUKWWIDGBSCQXPQ-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-amine
CID 82922561
(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
CID 99598967
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
3-(5-bromo-3-pyridinyl)-3-hydroxypropanal
CID 114795397
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870137

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol (CID 82919855) is 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol is CCC(CC)CC(O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol?
The InChIKey is UKWWIDGBSCQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-9(4-2)5-12(15)10-6-11(13)8-14-7-10/h6-9,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol?
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol is sourced from PubChem (CID 82919855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).