5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one

C7H8ClNO2 — CID 54448475

IUPAC5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)c(O)c1Cl
InChIInChI=1S/C7H8ClNO2/c1-4-3-5(10)9(2)7(11)6(4)8/h3,11H,1-2H3
InChIKeyLUGXHNSUBXCUSY-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.05
Rot. Bonds

About 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one

5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one (PubChem CID 54448475) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one
PubChem CID54448475
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)c(O)c1Cl
InChIInChI=1S/C7H8ClNO2/c1-4-3-5(10)9(2)7(11)6(4)8/h3,11H,1-2H3
InChIKeyLUGXHNSUBXCUSY-UHFFFAOYSA-N
XLogP1.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one (CID 54448475) is 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one is Cc1cc(=O)n(C)c(O)c1Cl.
What is the InChIKey of 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one?
The InChIKey is LUGXHNSUBXCUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-4-3-5(10)9(2)7(11)6(4)8/h3,11H,1-2H3.
What are the key properties of 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one?
5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one has a molecular weight of 173.60 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 54448475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).