3-hydroxy-1,2-dimethylpyridin-4-one

C7H9NO2 — CID 2972

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IUPAC3-hydroxy-1,2-dimethylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChIKeyTZXKOCQBRNJULO-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.40
Rot. Bonds

About 3-hydroxy-1,2-dimethylpyridin-4-one

3-hydroxy-1,2-dimethylpyridin-4-one (PubChem CID 2972) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-hydroxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,2-dimethylpyridin-4-one
PubChem CID2972
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-hydroxy-1,2-dimethylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChIKeyTZXKOCQBRNJULO-UHFFFAOYSA-N
XLogP0.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
5-Hydroxy-1,2-Dimethyl-4(1H)-Pyridinone
CID 12280547
3-Hydroxy-2-methyl-1-[3-[methyl(prop-2-ynyl)amino]propyl]pyridin-4-one
CID 162644991
4-Pyridinone,3-OH-2-Me
CID 323814
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2-dimethylpyridin-4-one?
The IUPAC name of 3-hydroxy-1,2-dimethylpyridin-4-one (CID 2972) is 3-hydroxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,2-dimethylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1,2-dimethylpyridin-4-one is Cc1c(O)c(=O)ccn1C.
What is the InChIKey of 3-hydroxy-1,2-dimethylpyridin-4-one?
The InChIKey is TZXKOCQBRNJULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3.
What are the key properties of 3-hydroxy-1,2-dimethylpyridin-4-one?
3-hydroxy-1,2-dimethylpyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 2972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).