1-(2-methoxy-4-pyridinyl)ethanone

C8H9NO2 — CID 45085795

IUPAC1-(2-methoxy-4-pyridinyl)ethanone
SMILESCOc1cc(C(C)=O)ccn1
InChIInChI=1S/C8H9NO2/c1-6(10)7-3-4-9-8(5-7)11-2/h3-5H,1-2H3
InChIKeyBFAGDLUNNOGOSS-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.29
Rot. Bonds2

About 1-(2-methoxy-4-pyridinyl)ethanone

1-(2-methoxy-4-pyridinyl)ethanone (PubChem CID 45085795) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)ethanone
PubChem CID45085795
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-(2-methoxy-4-pyridinyl)ethanone
SMILESCOc1cc(C(C)=O)ccn1
InChIInChI=1S/C8H9NO2/c1-6(10)7-3-4-9-8(5-7)11-2/h3-5H,1-2H3
InChIKeyBFAGDLUNNOGOSS-UHFFFAOYSA-N
XLogP1.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)ethanone (CID 45085795) is 1-(2-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)ethanone is COc1cc(C(C)=O)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)ethanone?
The InChIKey is BFAGDLUNNOGOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)7-3-4-9-8(5-7)11-2/h3-5H,1-2H3.
What are the key properties of 1-(2-methoxy-4-pyridinyl)ethanone?
1-(2-methoxy-4-pyridinyl)ethanone has a molecular weight of 151.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 45085795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).