2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one

C7H9NO2 — CID 118810395

IUPAC2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(CO)[nH]ccc1=O
InChIInChI=1S/C7H9NO2/c1-5-6(4-9)8-3-2-7(5)10/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyYDNKMSXYEYWYOU-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.18
Rot. Bonds1

About 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one

2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one (PubChem CID 118810395) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one
PubChem CID118810395
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(CO)[nH]ccc1=O
InChIInChI=1S/C7H9NO2/c1-5-6(4-9)8-3-2-7(5)10/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyYDNKMSXYEYWYOU-UHFFFAOYSA-N
XLogP0.18
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one (CID 118810395) is 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one is Cc1c(CO)[nH]ccc1=O.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
The InChIKey is YDNKMSXYEYWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-6(4-9)8-3-2-7(5)10/h2-3,9H,4H2,1H3,(H,8,10).
What are the key properties of 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118810395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).