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

C7H6Cl3NO — CID 605476

IUPAC2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C(Cl)(Cl)Cl)[nH]1
InChIInChI=1S/C7H6Cl3NO/c1-4-2-5(12)3-6(11-4)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyVQNHPLPVXVDGTQ-UHFFFAOYSA-N
MW226.49 g/mol
LogP2.51
Rot. Bonds

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

2-methyl-6-(trichloromethyl)-1H-pyridin-4-one (PubChem CID 605476) has the molecular formula C7H6Cl3NO and a molecular weight of 226.49 g/mol. Its IUPAC name is 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
PubChem CID605476
Molecular FormulaC7H6Cl3NO
Molecular Weight226.49 g/mol
Exact Mass224.95
IUPAC Name2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C(Cl)(Cl)Cl)[nH]1
InChIInChI=1S/C7H6Cl3NO/c1-4-2-5(12)3-6(11-4)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyVQNHPLPVXVDGTQ-UHFFFAOYSA-N
XLogP2.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
ethane;2-(trichloromethyl)-1H-pyridin-4-one
CID 174541352
6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
CID 121220814
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
2-ethoxy-6-methyl-1H-pyridin-4-one
CID 119090762
2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-1H-pyridin-4-one
CID 143874745
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250098
2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one
CID 169250129
2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
CID 95841142
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one (CID 605476) is 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one is Cc1cc(=O)cc(C(Cl)(Cl)Cl)[nH]1.
What is the InChIKey of 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
The InChIKey is VQNHPLPVXVDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3NO/c1-4-2-5(12)3-6(11-4)7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one?
2-methyl-6-(trichloromethyl)-1H-pyridin-4-one has a molecular weight of 226.49 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trichloromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 605476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).