4-hydroxy-1-methylpyridin-2-one

C6H7NO2 — CID 54684523

IUPAC4-hydroxy-1-methylpyridin-2-one
SMILESCn1ccc(O)cc1=O
InChIInChI=1S/C6H7NO2/c1-7-3-2-5(8)4-6(7)9/h2-4,8H,1H3
InChIKeyISFRSMMUUQWJCU-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.09
Rot. Bonds

About 4-hydroxy-1-methylpyridin-2-one

4-hydroxy-1-methylpyridin-2-one (PubChem CID 54684523) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methylpyridin-2-one
PubChem CID54684523
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-hydroxy-1-methylpyridin-2-one
SMILESCn1ccc(O)cc1=O
InChIInChI=1S/C6H7NO2/c1-7-3-2-5(8)4-6(7)9/h2-4,8H,1H3
InChIKeyISFRSMMUUQWJCU-UHFFFAOYSA-N
XLogP0.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-methylpyridin-2-one (CID 54684523) is 4-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-methylpyridin-2-one is Cn1ccc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-methylpyridin-2-one?
The InChIKey is ISFRSMMUUQWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-7-3-2-5(8)4-6(7)9/h2-4,8H,1H3.
What are the key properties of 4-hydroxy-1-methylpyridin-2-one?
4-hydroxy-1-methylpyridin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 54684523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).