1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

C16H15F6IN2O2 — CID 158664381

IUPAC1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(I)c(=O)n1C.Cc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H7F3INO.C8H8F3NO/c1-4-3-5(8(9,10)11)6(12)7(14)13(4)2;1-5-3-6(8(9,10)11)4-7(13)12(5)2/h3H,1-2H3;3-4H,1-2H3
InChIKeyIDDYRGIDZYGLTP-UHFFFAOYSA-N
MW508.20 g/mol
LogP4.03
Rot. Bonds

About 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 158664381) has the molecular formula C16H15F6IN2O2 and a molecular weight of 508.20 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID158664381
Molecular FormulaC16H15F6IN2O2
Molecular Weight508.20 g/mol
Exact Mass508.01
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(I)c(=O)n1C.Cc1cc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H7F3INO.C8H8F3NO/c1-4-3-5(8(9,10)11)6(12)7(14)13(4)2;1-5-3-6(8(9,10)11)4-7(13)12(5)2/h3H,1-2H3;3-4H,1-2H3
InChIKeyIDDYRGIDZYGLTP-UHFFFAOYSA-N
XLogP4.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
CID 134859364
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-Dimethyl-3-iodo-6-(trifluoromethyl)-2-pyridone
CID 22382033
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050
1,6-Dimethyl-3-iodo-4-(trifluoromethyl)-2-pyridone
CID 22382056
3-[4-(Iodomethyl)-2-methylbenzene-5-id-1-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten
CID 59972583
5-Iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 156070444
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 158497319
1,4-Dimethyl-6-(trifluoromethyl)pyridin-2-one;3-iodo-1,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 159460775
5-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 160264368
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 160978179
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;methane
CID 161585109

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (CID 158664381) is 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(I)c(=O)n1C.Cc1cc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is IDDYRGIDZYGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO.C8H8F3NO/c1-4-3-5(8(9,10)11)6(12)7(14)13(4)2;1-5-3-6(8(9,10)11)4-7(13)12(5)2/h3H,1-2H3;3-4H,1-2H3.
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 508.20 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 158664381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).