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

C6H5Cl2NO — CID 119098336

IUPAC3,4-dichloro-6-methyl-1H-pyridin-2-one
SMILESCc1cc(Cl)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H5Cl2NO/c1-3-2-4(7)5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyYVLBUCGFSNLNJI-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.99
Rot. Bonds

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

3,4-dichloro-6-methyl-1H-pyridin-2-one (PubChem CID 119098336) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 3,4-dichloro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dichloro-6-methyl-1H-pyridin-2-one
PubChem CID119098336
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name3,4-dichloro-6-methyl-1H-pyridin-2-one
SMILESCc1cc(Cl)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H5Cl2NO/c1-3-2-4(7)5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKeyYVLBUCGFSNLNJI-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 3,4-dichloro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3,4-dichloro-6-methyl-1H-pyridin-2-one (CID 119098336) is 3,4-dichloro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dichloro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3,4-dichloro-6-methyl-1H-pyridin-2-one is Cc1cc(Cl)c(Cl)c(=O)[nH]1.
What is the InChIKey of 3,4-dichloro-6-methyl-1H-pyridin-2-one?
The InChIKey is YVLBUCGFSNLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c1-3-2-4(7)5(8)6(10)9-3/h2H,1H3,(H,9,10).
What are the key properties of 3,4-dichloro-6-methyl-1H-pyridin-2-one?
3,4-dichloro-6-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 3,4-dichloro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 119098336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).