3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one

C7H9NO3 — CID 593354

IUPAC3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(CO)c(=O)c1O
InChIInChI=1S/C7H9NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h2,9-10H,3H2,1H3,(H,8,11)
InChIKeyZHTYLJBFAGOFTI-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.12
Rot. Bonds1

About 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one

3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 593354) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
PubChem CID593354
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(CO)c(=O)c1O
InChIInChI=1S/C7H9NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h2,9-10H,3H2,1H3,(H,8,11)
InChIKeyZHTYLJBFAGOFTI-UHFFFAOYSA-N
XLogP-0.12
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one (CID 593354) is 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one is Cc1[nH]cc(CO)c(=O)c1O.
What is the InChIKey of 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is ZHTYLJBFAGOFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-6(10)7(11)5(3-9)2-8-4/h2,9-10H,3H2,1H3,(H,8,11).
What are the key properties of 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 155.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(hydroxymethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).