1-(3-ethoxy-4-pyridinyl)ethanone

C9H11NO2 — CID 83873268

IUPAC1-(3-ethoxy-4-pyridinyl)ethanone
SMILESCCOc1cnccc1C(C)=O
InChIInChI=1S/C9H11NO2/c1-3-12-9-6-10-5-4-8(9)7(2)11/h4-6H,3H2,1-2H3
InChIKeyLIMWCWDQOGPAEG-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.68
Rot. Bonds3

About 1-(3-ethoxy-4-pyridinyl)ethanone

1-(3-ethoxy-4-pyridinyl)ethanone (PubChem CID 83873268) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(3-ethoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-4-pyridinyl)ethanone
PubChem CID83873268
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(3-ethoxy-4-pyridinyl)ethanone
SMILESCCOc1cnccc1C(C)=O
InChIInChI=1S/C9H11NO2/c1-3-12-9-6-10-5-4-8(9)7(2)11/h4-6H,3H2,1-2H3
InChIKeyLIMWCWDQOGPAEG-UHFFFAOYSA-N
XLogP1.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
ethyl 3-(4-ethoxy-3-pyridinyl)-3-oxopropanoate
CID 131852523
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 24801189
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
3-acetylpyridine-4-carboxylic acid
CID 19902844

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-pyridinyl)ethanone?
The IUPAC name of 1-(3-ethoxy-4-pyridinyl)ethanone (CID 83873268) is 1-(3-ethoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-ethoxy-4-pyridinyl)ethanone?
The canonical SMILES for 1-(3-ethoxy-4-pyridinyl)ethanone is CCOc1cnccc1C(C)=O.
What is the InChIKey of 1-(3-ethoxy-4-pyridinyl)ethanone?
The InChIKey is LIMWCWDQOGPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-12-9-6-10-5-4-8(9)7(2)11/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-pyridinyl)ethanone?
1-(3-ethoxy-4-pyridinyl)ethanone has a molecular weight of 165.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 83873268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).