1-(2-ethyl-6-methyl-4-pyridinyl)ethenol

C10H13NO — CID 145025752

IUPAC1-(2-ethyl-6-methyl-4-pyridinyl)ethenol
SMILESC=C(O)c1cc(C)nc(CC)c1
InChIInChI=1S/C10H13NO/c1-4-10-6-9(8(3)12)5-7(2)11-10/h5-6,12H,3-4H2,1-2H3
InChIKeyLTRJGGJUWGEZNR-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol

1-(2-ethyl-6-methyl-4-pyridinyl)ethenol (PubChem CID 145025752) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol.

Molecular Properties

Compound Name1-(2-ethyl-6-methyl-4-pyridinyl)ethenol
PubChem CID145025752
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(2-ethyl-6-methyl-4-pyridinyl)ethenol
SMILESC=C(O)c1cc(C)nc(CC)c1
InChIInChI=1S/C10H13NO/c1-4-10-6-9(8(3)12)5-7(2)11-10/h5-6,12H,3-4H2,1-2H3
InChIKeyLTRJGGJUWGEZNR-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol?
The IUPAC name of 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol (CID 145025752) is 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol.
What is the SMILES notation for 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol?
The canonical SMILES for 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol is C=C(O)c1cc(C)nc(CC)c1.
What is the InChIKey of 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol?
The InChIKey is LTRJGGJUWGEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-10-6-9(8(3)12)5-7(2)11-10/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol?
1-(2-ethyl-6-methyl-4-pyridinyl)ethenol has a molecular weight of 163.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methyl-4-pyridinyl)ethenol is sourced from PubChem (CID 145025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).