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

C8H7F3INO — CID 22382056

IUPAC3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(I)c(=O)n1C
InChIInChI=1S/C8H7F3INO/c1-4-3-5(8(9,10)11)6(12)7(14)13(4)2/h3H,1-2H3
InChIKeyCNFUCIZHCSFYLA-UHFFFAOYSA-N
MW317.05 g/mol
LogP2.32
Rot. Bonds

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

3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 22382056) has the molecular formula C8H7F3INO and a molecular weight of 317.05 g/mol. Its IUPAC name is 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID22382056
Molecular FormulaC8H7F3INO
Molecular Weight317.05 g/mol
Exact Mass316.95
IUPAC Name3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(I)c(=O)n1C
InChIInChI=1S/C8H7F3INO/c1-4-3-5(8(9,10)11)6(12)7(14)13(4)2/h3H,1-2H3
InChIKeyCNFUCIZHCSFYLA-UHFFFAOYSA-N
XLogP2.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1,3,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 89469037
1-Tert-butyl-3-iodo-4-(trifluoromethyl)pyridin-2-one
CID 90395505
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
5-Fluoro-1,4,6-trimethylpyridin-2-one
CID 140313172
1-Ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 145311455
5-Ethyl-4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 146551904

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (CID 22382056) is 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(I)c(=O)n1C.
What is the InChIKey of 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is CNFUCIZHCSFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO/c1-4-3-5(8(9,10)11)6(12)7(14)13(4)2/h3H,1-2H3.
What are the key properties of 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 317.05 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 22382056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).