3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one

C10H15NO3 — CID 19786808

IUPAC3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(C)n1CCCO
InChIInChI=1S/C10H15NO3/c1-7-6-9(13)10(14)8(2)11(7)4-3-5-12/h6,12,14H,3-5H2,1-2H3
InChIKeyLWHVQFZCMOVPDV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.55
Rot. Bonds3

About 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one

3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one (PubChem CID 19786808) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one
PubChem CID19786808
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(C)n1CCCO
InChIInChI=1S/C10H15NO3/c1-7-6-9(13)10(14)8(2)11(7)4-3-5-12/h6,12,14H,3-5H2,1-2H3
InChIKeyLWHVQFZCMOVPDV-UHFFFAOYSA-N
XLogP0.55
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one (CID 19786808) is 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)c(O)c(C)n1CCCO.
What is the InChIKey of 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is LWHVQFZCMOVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-6-9(13)10(14)8(2)11(7)4-3-5-12/h6,12,14H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 19786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).