1-(methoxymethyl)pyridin-4-one

C7H9NO2 — CID 13275573

IUPAC1-(methoxymethyl)pyridin-4-one
SMILESCOCn1ccc(=O)cc1
InChIInChI=1S/C7H9NO2/c1-10-6-8-4-2-7(9)3-5-8/h2-5H,6H2,1H3
InChIKeyKJWWFNNABXEDHG-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.45
Rot. Bonds2

About 1-(methoxymethyl)pyridin-4-one

1-(methoxymethyl)pyridin-4-one (PubChem CID 13275573) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(methoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(methoxymethyl)pyridin-4-one
PubChem CID13275573
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(methoxymethyl)pyridin-4-one
SMILESCOCn1ccc(=O)cc1
InChIInChI=1S/C7H9NO2/c1-10-6-8-4-2-7(9)3-5-8/h2-5H,6H2,1H3
InChIKeyKJWWFNNABXEDHG-UHFFFAOYSA-N
XLogP0.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)pyridin-4-one?
The IUPAC name of 1-(methoxymethyl)pyridin-4-one (CID 13275573) is 1-(methoxymethyl)pyridin-4-one.
What is the SMILES notation for 1-(methoxymethyl)pyridin-4-one?
The canonical SMILES for 1-(methoxymethyl)pyridin-4-one is COCn1ccc(=O)cc1.
What is the InChIKey of 1-(methoxymethyl)pyridin-4-one?
The InChIKey is KJWWFNNABXEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-10-6-8-4-2-7(9)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 1-(methoxymethyl)pyridin-4-one?
1-(methoxymethyl)pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyridin-4-one is sourced from PubChem (CID 13275573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).