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

C6H5Cl2NO — CID 67855435

IUPAC4,5-dichloro-3-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c(Cl)c[nH]c1=O
InChIInChI=1S/C6H5Cl2NO/c1-3-5(8)4(7)2-9-6(3)10/h2H,1H3,(H,9,10)
InChIKeyNGNWGIYNGWJPSH-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.99
Rot. Bonds

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

4,5-dichloro-3-methyl-1H-pyridin-2-one (PubChem CID 67855435) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 4,5-dichloro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5-dichloro-3-methyl-1H-pyridin-2-one
PubChem CID67855435
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name4,5-dichloro-3-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c(Cl)c[nH]c1=O
InChIInChI=1S/C6H5Cl2NO/c1-3-5(8)4(7)2-9-6(3)10/h2H,1H3,(H,9,10)
InChIKeyNGNWGIYNGWJPSH-UHFFFAOYSA-N
XLogP1.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4,5-dichloro-3-methyl-1H-pyridin-2-one (CID 67855435) is 4,5-dichloro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4,5-dichloro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4,5-dichloro-3-methyl-1H-pyridin-2-one is Cc1c(Cl)c(Cl)c[nH]c1=O.
What is the InChIKey of 4,5-dichloro-3-methyl-1H-pyridin-2-one?
The InChIKey is NGNWGIYNGWJPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c1-3-5(8)4(7)2-9-6(3)10/h2H,1H3,(H,9,10).
What are the key properties of 4,5-dichloro-3-methyl-1H-pyridin-2-one?
4,5-dichloro-3-methyl-1H-pyridin-2-one has a molecular weight of 178.02 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 67855435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).