1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one

C10H15NO3 — CID 79885401

IUPAC1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(O)CO
InChIInChI=1S/C10H15NO3/c1-7-3-9(13)4-8(2)11(7)5-10(14)6-12/h3-4,10,12,14H,5-6H2,1-2H3
InChIKeyBUHTVLBLUNCMJP-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.18
Rot. Bonds3

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

1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885401) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one
PubChem CID79885401
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(O)CO
InChIInChI=1S/C10H15NO3/c1-7-3-9(13)4-8(2)11(7)5-10(14)6-12/h3-4,10,12,14H,5-6H2,1-2H3
InChIKeyBUHTVLBLUNCMJP-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-glyceryl-2-methyl-3-hydroxypyridine-4(1H)-one
CID 10488217
Pyridin-4(1H)-one, 1-(2-hydroxyethyl)-2,6-dimethyl-
CID 597418
2,6-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-4-one
CID 105649097
1-(3,3-Difluoro-2-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 105649180
1-(2,2-Difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 106172535
3-Hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 19786808
1-(2,3-Dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 20688190
1-(2,3-Dihydroxypropyl)-2,3-dimethylpyridin-4-one
CID 59933813
1-(3,4-Dihydroxybutyl)-2-methylpyridin-4-one
CID 67805890
1-(2,3-Dihydroxypropyl)-2-methylpyridin-4-one
CID 70376735
1-(2,3-Dihydroxypropyl)-2,3-dimethylpyridin-4-one;propane
CID 160276314
1-(1-Hydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884590

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one (CID 79885401) is 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is BUHTVLBLUNCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-3-9(13)4-8(2)11(7)5-10(14)6-12/h3-4,10,12,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one?
1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).