4,6-dihydroxy-5-methyl-1H-pyridin-2-one

C6H7NO3 — CID 54695999

IUPAC4,6-dihydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(O)cc(=O)[nH]c1O
InChIInChI=1S/C6H7NO3/c1-3-4(8)2-5(9)7-6(3)10/h2H,1H3,(H3,7,8,9,10)
InChIKeyVTICBWSDFIEGLA-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.09
Rot. Bonds

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

4,6-dihydroxy-5-methyl-1H-pyridin-2-one (PubChem CID 54695999) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4,6-dihydroxy-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dihydroxy-5-methyl-1H-pyridin-2-one
PubChem CID54695999
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4,6-dihydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(O)cc(=O)[nH]c1O
InChIInChI=1S/C6H7NO3/c1-3-4(8)2-5(9)7-6(3)10/h2H,1H3,(H3,7,8,9,10)
InChIKeyVTICBWSDFIEGLA-UHFFFAOYSA-N
XLogP0.09
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4,6-dihydroxy-5-methyl-1H-pyridin-2-one (CID 54695999) is 4,6-dihydroxy-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dihydroxy-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-dihydroxy-5-methyl-1H-pyridin-2-one is Cc1c(O)cc(=O)[nH]c1O.
What is the InChIKey of 4,6-dihydroxy-5-methyl-1H-pyridin-2-one?
The InChIKey is VTICBWSDFIEGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-3-4(8)2-5(9)7-6(3)10/h2H,1H3,(H3,7,8,9,10).
What are the key properties of 4,6-dihydroxy-5-methyl-1H-pyridin-2-one?
4,6-dihydroxy-5-methyl-1H-pyridin-2-one has a molecular weight of 141.13 g/mol, XLogP of 0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54695999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).