3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one

C7H5Cl4NO — CID 614313

IUPAC3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
SMILESCc1[nH]c(C(Cl)(Cl)Cl)cc(=O)c1Cl
InChIInChI=1S/C7H5Cl4NO/c1-3-6(8)4(13)2-5(12-3)7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyZVQMAVACBLRROE-UHFFFAOYSA-N
MW260.94 g/mol
LogP3.16
Rot. Bonds

About 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one

3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one (PubChem CID 614313) has the molecular formula C7H5Cl4NO and a molecular weight of 260.94 g/mol. Its IUPAC name is 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
PubChem CID614313
Molecular FormulaC7H5Cl4NO
Molecular Weight260.94 g/mol
Exact Mass258.91
IUPAC Name3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
SMILESCc1[nH]c(C(Cl)(Cl)Cl)cc(=O)c1Cl
InChIInChI=1S/C7H5Cl4NO/c1-3-6(8)4(13)2-5(12-3)7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyZVQMAVACBLRROE-UHFFFAOYSA-N
XLogP3.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.94
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one (CID 614313) is 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one is Cc1[nH]c(C(Cl)(Cl)Cl)cc(=O)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
The InChIKey is ZVQMAVACBLRROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4NO/c1-3-6(8)4(13)2-5(12-3)7(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one has a molecular weight of 260.94 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 614313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).