1-(hydroxymethyl)pyridin-4-one

C6H7NO2 — CID 130028073

IUPAC1-(hydroxymethyl)pyridin-4-one
SMILESO=c1ccn(CO)cc1
InChIInChI=1S/C6H7NO2/c8-5-7-3-1-6(9)2-4-7/h1-4,8H,5H2
InChIKeyBJRKBYKGMMOQNE-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.20
Rot. Bonds1

About 1-(hydroxymethyl)pyridin-4-one

1-(hydroxymethyl)pyridin-4-one (PubChem CID 130028073) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(hydroxymethyl)pyridin-4-one
PubChem CID130028073
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-(hydroxymethyl)pyridin-4-one
SMILESO=c1ccn(CO)cc1
InChIInChI=1S/C6H7NO2/c8-5-7-3-1-6(9)2-4-7/h1-4,8H,5H2
InChIKeyBJRKBYKGMMOQNE-UHFFFAOYSA-N
XLogP-0.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 1-(hydroxymethyl)pyridin-4-one (CID 130028073) is 1-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 1-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 1-(hydroxymethyl)pyridin-4-one is O=c1ccn(CO)cc1.
What is the InChIKey of 1-(hydroxymethyl)pyridin-4-one?
The InChIKey is BJRKBYKGMMOQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-5-7-3-1-6(9)2-4-7/h1-4,8H,5H2.
What are the key properties of 1-(hydroxymethyl)pyridin-4-one?
1-(hydroxymethyl)pyridin-4-one has a molecular weight of 125.13 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 130028073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).