1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)

C8H7F3INOZn — CID 134859364

IUPAC1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
SMILESCc1cc(C(F)(F)F)[c-]c(=O)n1C.[Zn+]I
InChIInChI=1S/C8H7F3NO.HI.Zn/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;;/h3H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIADFMLIUGGIDKZ-UHFFFAOYSA-M
MW382.44 g/mol
LogP2.40
Rot. Bonds

About 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)

1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+) (PubChem CID 134859364) has the molecular formula C8H7F3INOZn and a molecular weight of 382.44 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+).

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
PubChem CID134859364
Molecular FormulaC8H7F3INOZn
Molecular Weight382.44 g/mol
Exact Mass380.88
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)
SMILESCc1cc(C(F)(F)F)[c-]c(=O)n1C.[Zn+]I
InChIInChI=1S/C8H7F3NO.HI.Zn/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;;/h3H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIADFMLIUGGIDKZ-UHFFFAOYSA-M
XLogP2.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1471023
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
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
1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
1,3,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 89469037
4-(Difluoromethyl)-1,3,6-trimethylpyridin-2-one
CID 124019262
1,6-Dimethyl-3-sulfanyl-4-(trifluoromethyl)pyridin-2-one
CID 134419074
3-Ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 134419157

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+) (CID 134859364) is 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+).
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+) is Cc1cc(C(F)(F)F)[c-]c(=O)n1C.[Zn+]I.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)?
The InChIKey is IADFMLIUGGIDKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F3NO.HI.Zn/c1-5-3-6(8(9,10)11)4-7(13)12(5)2;;/h3H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+)?
1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+) has a molecular weight of 382.44 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)-3H-pyridin-3-id-2-one;iodozinc(1+) is sourced from PubChem (CID 134859364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).