1,4-dihydroxy-3-methylpyridin-2-one

C6H7NO3 — CID 130345782

IUPAC1,4-dihydroxy-3-methylpyridin-2-one
SMILESCc1c(O)ccn(O)c1=O
InChIInChI=1S/C6H7NO3/c1-4-5(8)2-3-7(10)6(4)9/h2-3,8,10H,1H3
InChIKeyXUPZOFUYSNKWNO-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.10
Rot. Bonds

About 1,4-dihydroxy-3-methylpyridin-2-one

1,4-dihydroxy-3-methylpyridin-2-one (PubChem CID 130345782) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,4-dihydroxy-3-methylpyridin-2-one.

Molecular Properties

Compound Name1,4-dihydroxy-3-methylpyridin-2-one
PubChem CID130345782
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1,4-dihydroxy-3-methylpyridin-2-one
SMILESCc1c(O)ccn(O)c1=O
InChIInChI=1S/C6H7NO3/c1-4-5(8)2-3-7(10)6(4)9/h2-3,8,10H,1H3
InChIKeyXUPZOFUYSNKWNO-UHFFFAOYSA-N
XLogP0.10
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-3-methylpyridin-2-one?
The IUPAC name of 1,4-dihydroxy-3-methylpyridin-2-one (CID 130345782) is 1,4-dihydroxy-3-methylpyridin-2-one.
What is the SMILES notation for 1,4-dihydroxy-3-methylpyridin-2-one?
The canonical SMILES for 1,4-dihydroxy-3-methylpyridin-2-one is Cc1c(O)ccn(O)c1=O.
What is the InChIKey of 1,4-dihydroxy-3-methylpyridin-2-one?
The InChIKey is XUPZOFUYSNKWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-5(8)2-3-7(10)6(4)9/h2-3,8,10H,1H3.
What are the key properties of 1,4-dihydroxy-3-methylpyridin-2-one?
1,4-dihydroxy-3-methylpyridin-2-one has a molecular weight of 141.13 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-3-methylpyridin-2-one is sourced from PubChem (CID 130345782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).