4-(5-ethyl-2-pyridinyl)butan-1-ol

C11H17NO — CID 79737697

IUPAC4-(5-ethyl-2-pyridinyl)butan-1-ol
SMILESCCc1ccc(CCCCO)nc1
InChIInChI=1S/C11H17NO/c1-2-10-6-7-11(12-9-10)5-3-4-8-13/h6-7,9,13H,2-5,8H2,1H3
InChIKeyBFIYPGADGHSENH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds5

About 4-(5-ethyl-2-pyridinyl)butan-1-ol

4-(5-ethyl-2-pyridinyl)butan-1-ol (PubChem CID 79737697) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(5-ethyl-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-(5-ethyl-2-pyridinyl)butan-1-ol
PubChem CID79737697
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(5-ethyl-2-pyridinyl)butan-1-ol
SMILESCCc1ccc(CCCCO)nc1
InChIInChI=1S/C11H17NO/c1-2-10-6-7-11(12-9-10)5-3-4-8-13/h6-7,9,13H,2-5,8H2,1H3
InChIKeyBFIYPGADGHSENH-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
5-(5-ethyl-2-pyridinyl)-N-methylpentan-2-amine
CID 79737887
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
CID 89318794
CID 89318794
tert-butyl 6-(4-hydroxybutyl)pyridine-3-carboxylate
CID 135261986
N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine
CID 79738882
(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
CID 125488024
2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
CID 158188022
(E)-4-[4-[3-(5-ethyl-2-pyridinyl)propyl]phenyl]-3-methylbut-3-en-2-one;propan-2-one
CID 142872927
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
CID 79738785

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-pyridinyl)butan-1-ol?
The IUPAC name of 4-(5-ethyl-2-pyridinyl)butan-1-ol (CID 79737697) is 4-(5-ethyl-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-(5-ethyl-2-pyridinyl)butan-1-ol?
The canonical SMILES for 4-(5-ethyl-2-pyridinyl)butan-1-ol is CCc1ccc(CCCCO)nc1.
What is the InChIKey of 4-(5-ethyl-2-pyridinyl)butan-1-ol?
The InChIKey is BFIYPGADGHSENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-10-6-7-11(12-9-10)5-3-4-8-13/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of 4-(5-ethyl-2-pyridinyl)butan-1-ol?
4-(5-ethyl-2-pyridinyl)butan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 79737697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).