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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Related Compounds

5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
2-(methoxymethyl)-1,6-dimethylindole
CID 117185979
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate
CID 146261338
5-(methoxymethyl)-2-methyl-1H-pyridin-4-one
CID 175953336
5-(methoxymethyl)-1-methylpyridin-2-one
CID 90746117
3-bromo-6-ethyl-4-methoxy-1-methylpyridin-2-one
CID 175760642
1-hydroxy-4-(methoxymethyl)-6-methylpyrimidin-2-one
CID 90213754
6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
CID 59543279
2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one
CID 146290040
3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224852
1-ethyl-2-(methoxymethyl)-6-methylindole
CID 117186050

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).