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

C9H13NO3 — CID 70661377

IUPAC2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1CCCO
InChIInChI=1S/C9H13NO3/c11-3-1-2-7-5-10-8(6-12)4-9(7)13/h4-5,11-12H,1-3,6H2,(H,10,13)
InChIKeyMZVXFOAHZNEPBU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.21
Rot. Bonds4

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

2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one (PubChem CID 70661377) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one
PubChem CID70661377
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1CCCO
InChIInChI=1S/C9H13NO3/c11-3-1-2-7-5-10-8(6-12)4-9(7)13/h4-5,11-12H,1-3,6H2,(H,10,13)
InChIKeyMZVXFOAHZNEPBU-UHFFFAOYSA-N
XLogP-0.21
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one (CID 70661377) is 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one is O=c1cc(CO)[nH]cc1CCCO.
What is the InChIKey of 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one?
The InChIKey is MZVXFOAHZNEPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-3-1-2-7-5-10-8(6-12)4-9(7)13/h4-5,11-12H,1-3,6H2,(H,10,13).
What are the key properties of 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one?
2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(3-hydroxypropyl)-1H-pyridin-4-one is sourced from PubChem (CID 70661377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).