1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone

C10H15NO2 — CID 152586786

IUPAC1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone
SMILESCOCCN1C=CC(C(C)=O)=CC1
InChIInChI=1S/C10H15NO2/c1-9(12)10-3-5-11(6-4-10)7-8-13-2/h3-5H,6-8H2,1-2H3
InChIKeyYUPZMDPHUXIYBV-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds4

About 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone

1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone (PubChem CID 152586786) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone
PubChem CID152586786
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone
SMILESCOCCN1C=CC(C(C)=O)=CC1
InChIInChI=1S/C10H15NO2/c1-9(12)10-3-5-11(6-4-10)7-8-13-2/h3-5H,6-8H2,1-2H3
InChIKeyYUPZMDPHUXIYBV-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone (CID 152586786) is 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone is COCCN1C=CC(C(C)=O)=CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone?
The InChIKey is YUPZMDPHUXIYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(12)10-3-5-11(6-4-10)7-8-13-2/h3-5H,6-8H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone?
1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone has a molecular weight of 181.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone is sourced from PubChem (CID 152586786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).