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

C7H9NO3 — CID 161199727

IUPAC3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1CO
InChIInChI=1S/C7H9NO3/c1-11-7-5(4-9)6(10)2-3-8-7/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyUUUYAMQMHXCGPY-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.12
Rot. Bonds2

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

3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one (PubChem CID 161199727) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one
PubChem CID161199727
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]ccc(=O)c1CO
InChIInChI=1S/C7H9NO3/c1-11-7-5(4-9)6(10)2-3-8-7/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyUUUYAMQMHXCGPY-UHFFFAOYSA-N
XLogP-0.12
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one (CID 161199727) is 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one is COc1[nH]ccc(=O)c1CO.
What is the InChIKey of 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one?
The InChIKey is UUUYAMQMHXCGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7-5(4-9)6(10)2-3-8-7/h2-3,9H,4H2,1H3,(H,8,10).
What are the key properties of 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one?
3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one has a molecular weight of 155.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 161199727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).