3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride

C8H12ClNO3 — CID 18678812

IUPAC3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride
SMILESCc1cc(=O)c(O)c(CO)n1C.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-5-3-7(11)8(12)6(4-10)9(5)2;/h3,10,12H,4H2,1-2H3;1H
InChIKeyPNUSWAPEGPTXQL-UHFFFAOYSA-N
MW205.64 g/mol
LogP0.31
Rot. Bonds1

About 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride

3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride (PubChem CID 18678812) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride
PubChem CID18678812
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride
SMILESCc1cc(=O)c(O)c(CO)n1C.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-5-3-7(11)8(12)6(4-10)9(5)2;/h3,10,12H,4H2,1-2H3;1H
InChIKeyPNUSWAPEGPTXQL-UHFFFAOYSA-N
XLogP0.31
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
5-Hydroxy-2-hydroxymethyl-1-methylpyrid-4-one
CID 129682
1-Ethyl-2-(1-hydroxyethyl)-3-hydroxypyridin-4-one
CID 126465
3-Hydroxypyridin-4-one,2-methoxymethyl,6-methyl
CID 9989902
3-Hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one
CID 10330338
3-Hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one
CID 18428303
2FF8Dpg57Y
CID 18428306
3-Hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 18428307
1-Ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 18941617
1-Ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
CID 23378015
4(1h)-Pyridinone,3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)-
CID 23378019
3-Hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4(1H)-one
CID 23378020

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride (CID 18678812) is 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride is Cc1cc(=O)c(O)c(CO)n1C.Cl.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride?
The InChIKey is PNUSWAPEGPTXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c1-5-3-7(11)8(12)6(4-10)9(5)2;/h3,10,12H,4H2,1-2H3;1H.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride?
3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride is sourced from PubChem (CID 18678812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).