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

C7H7Cl2NO2 — CID 59956648

IUPAC3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one
SMILESCOc1[nH]c(C)c(Cl)c(=O)c1Cl
InChIInChI=1S/C7H7Cl2NO2/c1-3-4(8)6(11)5(9)7(10-3)12-2/h1-2H3,(H,10,11)
InChIKeyFSZGTOIBSMHDCT-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.00
Rot. Bonds1

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

3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one (PubChem CID 59956648) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one
PubChem CID59956648
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Name3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one
SMILESCOc1[nH]c(C)c(Cl)c(=O)c1Cl
InChIInChI=1S/C7H7Cl2NO2/c1-3-4(8)6(11)5(9)7(10-3)12-2/h1-2H3,(H,10,11)
InChIKeyFSZGTOIBSMHDCT-UHFFFAOYSA-N
XLogP2.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one?
The IUPAC name of 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one (CID 59956648) is 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one is COc1[nH]c(C)c(Cl)c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one?
The InChIKey is FSZGTOIBSMHDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2/c1-3-4(8)6(11)5(9)7(10-3)12-2/h1-2H3,(H,10,11).
What are the key properties of 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one?
3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one has a molecular weight of 208.04 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 59956648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).