3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one

C7H9NO3 — CID 174789206

IUPAC3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(O)c(C)c1O
InChIInChI=1S/C7H9NO3/c1-3-5(9)4(2)8-7(11)6(3)10/h9-10H,1-2H3,(H,8,11)
InChIKeyMPTQGNIAFOKDRO-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.40
Rot. Bonds

About 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one

3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 174789206) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one
PubChem CID174789206
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(O)c(C)c1O
InChIInChI=1S/C7H9NO3/c1-3-5(9)4(2)8-7(11)6(3)10/h9-10H,1-2H3,(H,8,11)
InChIKeyMPTQGNIAFOKDRO-UHFFFAOYSA-N
XLogP0.40
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-methyl-2H-isoquinolin-3-one
CID 90091153
4-amino-5-hydroxy-2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
CID 73014004
2-hydroxy-3-methylcycloprop-2-en-1-one
CID 59349696
3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one
CID 171744974
18-hydroxy-17-methyl-16-azabicyclo[12.3.1]octadeca-1(17),14(18)-dien-15-one
CID 102275952
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one
CID 54732101
4-bromo-3,5,6-trimethyl-1H-pyridin-2-one
CID 14203602
4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one
CID 145200687
3,5-dihydroxy-4-methoxy-6-methyl-1H-pyridine-2-thione
CID 91465877
5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70833654

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one (CID 174789206) is 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(O)c(C)c1O.
What is the InChIKey of 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is MPTQGNIAFOKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-5(9)4(2)8-7(11)6(3)10/h9-10H,1-2H3,(H,8,11).
What are the key properties of 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one?
3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 155.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 174789206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).