3-(hydroxymethyl)-1-methylpyridin-4-one

C7H9NO2 — CID 13336722

IUPAC3-(hydroxymethyl)-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(CO)c1
InChIInChI=1S/C7H9NO2/c1-8-3-2-7(10)6(4-8)5-9/h2-4,9H,5H2,1H3
InChIKeyXQMRGJBJZITOMH-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.12
Rot. Bonds1

About 3-(hydroxymethyl)-1-methylpyridin-4-one

3-(hydroxymethyl)-1-methylpyridin-4-one (PubChem CID 13336722) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methylpyridin-4-one
PubChem CID13336722
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-(hydroxymethyl)-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(CO)c1
InChIInChI=1S/C7H9NO2/c1-8-3-2-7(10)6(4-8)5-9/h2-4,9H,5H2,1H3
InChIKeyXQMRGJBJZITOMH-UHFFFAOYSA-N
XLogP-0.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methylpyridin-4-one?
The IUPAC name of 3-(hydroxymethyl)-1-methylpyridin-4-one (CID 13336722) is 3-(hydroxymethyl)-1-methylpyridin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-methylpyridin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-1-methylpyridin-4-one is Cn1ccc(=O)c(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-1-methylpyridin-4-one?
The InChIKey is XQMRGJBJZITOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-3-2-7(10)6(4-8)5-9/h2-4,9H,5H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-methylpyridin-4-one?
3-(hydroxymethyl)-1-methylpyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 13336722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).