1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol

C13H17NO — CID 104804228

IUPAC1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1ncccc1CC
InChIInChI=1S/C13H17NO/c1-3-5-6-9-12(15)13-11(4-2)8-7-10-14-13/h7-8,10,12,15H,4,6,9H2,1-2H3
InChIKeyRHRDZQPGSJYRAX-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol

1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol (PubChem CID 104804228) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
PubChem CID104804228
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1ncccc1CC
InChIInChI=1S/C13H17NO/c1-3-5-6-9-12(15)13-11(4-2)8-7-10-14-13/h7-8,10,12,15H,4,6,9H2,1-2H3
InChIKeyRHRDZQPGSJYRAX-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
CID 82729620
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026
3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
CID 82729718
2-(4-tert-butylphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82732445
3-[2-(3-ethyl-2-pyridinyl)-2-hydroxyethyl]phenol
CID 82730497
1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
CID 82731279
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
(4-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanol
CID 82731157
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82730481
1-(2,6-dimethylphenyl)hex-4-yn-1-ol
CID 104809723

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol (CID 104804228) is 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol is CC#CCCC(O)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol?
The InChIKey is RHRDZQPGSJYRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-5-6-9-12(15)13-11(4-2)8-7-10-14-13/h7-8,10,12,15H,4,6,9H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol?
1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol is sourced from PubChem (CID 104804228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).