3,5-dichloro-1-methylpyridin-4-one

C6H5Cl2NO — CID 3695034

IUPAC3,5-dichloro-1-methylpyridin-4-one
SMILESCn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO/c1-9-2-4(7)6(10)5(8)3-9/h2-3H,1H3
InChIKeyKWMTUZNFKTWCJD-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.69
Rot. Bonds

About 3,5-dichloro-1-methylpyridin-4-one

3,5-dichloro-1-methylpyridin-4-one (PubChem CID 3695034) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 3,5-dichloro-1-methylpyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-1-methylpyridin-4-one
PubChem CID3695034
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name3,5-dichloro-1-methylpyridin-4-one
SMILESCn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO/c1-9-2-4(7)6(10)5(8)3-9/h2-3H,1H3
InChIKeyKWMTUZNFKTWCJD-UHFFFAOYSA-N
XLogP1.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-methylpyridin-4-one?
The IUPAC name of 3,5-dichloro-1-methylpyridin-4-one (CID 3695034) is 3,5-dichloro-1-methylpyridin-4-one.
What is the SMILES notation for 3,5-dichloro-1-methylpyridin-4-one?
The canonical SMILES for 3,5-dichloro-1-methylpyridin-4-one is Cn1cc(Cl)c(=O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-1-methylpyridin-4-one?
The InChIKey is KWMTUZNFKTWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c1-9-2-4(7)6(10)5(8)3-9/h2-3H,1H3.
What are the key properties of 3,5-dichloro-1-methylpyridin-4-one?
3,5-dichloro-1-methylpyridin-4-one has a molecular weight of 178.02 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-methylpyridin-4-one is sourced from PubChem (CID 3695034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).