3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one

C6H5Cl2NO2 — CID 54732101

IUPAC3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)[nH]c(=O)c(Cl)c1O
InChIInChI=1S/C6H5Cl2NO2/c1-2-4(10)3(7)6(11)9-5(2)8/h1H3,(H2,9,10,11)
InChIKeyLDTGFNGAZAGZKZ-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.70
Rot. Bonds

About 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one

3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one (PubChem CID 54732101) has the molecular formula C6H5Cl2NO2 and a molecular weight of 194.02 g/mol. Its IUPAC name is 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one
PubChem CID54732101
Molecular FormulaC6H5Cl2NO2
Molecular Weight194.02 g/mol
Exact Mass192.97
IUPAC Name3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)[nH]c(=O)c(Cl)c1O
InChIInChI=1S/C6H5Cl2NO2/c1-2-4(10)3(7)6(11)9-5(2)8/h1H3,(H2,9,10,11)
InChIKeyLDTGFNGAZAGZKZ-UHFFFAOYSA-N
XLogP1.70
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one (CID 54732101) is 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one is Cc1c(Cl)[nH]c(=O)c(Cl)c1O.
What is the InChIKey of 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
The InChIKey is LDTGFNGAZAGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2/c1-2-4(10)3(7)6(11)9-5(2)8/h1H3,(H2,9,10,11).
What are the key properties of 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one?
3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one has a molecular weight of 194.02 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54732101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).