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

C6H7NO2 — CID 10630483

IUPAC3-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1CO
InChIInChI=1S/C6H7NO2/c8-4-5-3-7-2-1-6(5)9/h1-3,8H,4H2,(H,7,9)
InChIKeyMMWFAKVYNKBBRE-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.13
Rot. Bonds1

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

3-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 10630483) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID10630483
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1CO
InChIInChI=1S/C6H7NO2/c8-4-5-3-7-2-1-6(5)9/h1-3,8H,4H2,(H,7,9)
InChIKeyMMWFAKVYNKBBRE-UHFFFAOYSA-N
XLogP-0.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(hydroxymethyl)-1H-pyridin-4-one (CID 10630483) is 3-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc[nH]cc1CO.
What is the InChIKey of 3-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is MMWFAKVYNKBBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-4-5-3-7-2-1-6(5)9/h1-3,8H,4H2,(H,7,9).
What are the key properties of 3-(hydroxymethyl)-1H-pyridin-4-one?
3-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 125.13 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 10630483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).