2,6-bis(methoxymethyl)-1-methylpyridin-4-one

C10H15NO3 — CID 119089008

IUPAC2,6-bis(methoxymethyl)-1-methylpyridin-4-one
SMILESCOCc1cc(=O)cc(COC)n1C
InChIInChI=1S/C10H15NO3/c1-11-8(6-13-2)4-10(12)5-9(11)7-14-3/h4-5H,6-7H2,1-3H3
InChIKeyIBVHDPIOJAKACZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.68
Rot. Bonds4

About 2,6-bis(methoxymethyl)-1-methylpyridin-4-one

2,6-bis(methoxymethyl)-1-methylpyridin-4-one (PubChem CID 119089008) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2,6-bis(methoxymethyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name2,6-bis(methoxymethyl)-1-methylpyridin-4-one
PubChem CID119089008
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2,6-bis(methoxymethyl)-1-methylpyridin-4-one
SMILESCOCc1cc(=O)cc(COC)n1C
InChIInChI=1S/C10H15NO3/c1-11-8(6-13-2)4-10(12)5-9(11)7-14-3/h4-5H,6-7H2,1-3H3
InChIKeyIBVHDPIOJAKACZ-UHFFFAOYSA-N
XLogP0.68
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methoxymethyl)-1-methylpyridin-4-one?
The IUPAC name of 2,6-bis(methoxymethyl)-1-methylpyridin-4-one (CID 119089008) is 2,6-bis(methoxymethyl)-1-methylpyridin-4-one.
What is the SMILES notation for 2,6-bis(methoxymethyl)-1-methylpyridin-4-one?
The canonical SMILES for 2,6-bis(methoxymethyl)-1-methylpyridin-4-one is COCc1cc(=O)cc(COC)n1C.
What is the InChIKey of 2,6-bis(methoxymethyl)-1-methylpyridin-4-one?
The InChIKey is IBVHDPIOJAKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11-8(6-13-2)4-10(12)5-9(11)7-14-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 2,6-bis(methoxymethyl)-1-methylpyridin-4-one?
2,6-bis(methoxymethyl)-1-methylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methoxymethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 119089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).