3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one

C7H3F5INO — CID 130082730

IUPAC3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C7H3F5INO/c8-6(9)3-4(15)2(13)1-14-5(3)7(10,11)12/h1,6H,(H,14,15)
InChIKeyFCEUUQNODQBKGU-UHFFFAOYSA-N
MW339.00 g/mol
LogP2.94
Rot. Bonds1

About 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one

3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 130082730) has the molecular formula C7H3F5INO and a molecular weight of 339.00 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID130082730
Molecular FormulaC7H3F5INO
Molecular Weight339.00 g/mol
Exact Mass338.92
IUPAC Name3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C7H3F5INO/c8-6(9)3-4(15)2(13)1-14-5(3)7(10,11)12/h1,6H,(H,14,15)
InChIKeyFCEUUQNODQBKGU-UHFFFAOYSA-N
XLogP2.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.00
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076719
5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082731
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one
CID 130082613
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
3-(difluoromethyl)-4-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 130085423
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118815340
2-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130085038
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083827

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one (CID 130082730) is 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(I)c[nH]c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is FCEUUQNODQBKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO/c8-6(9)3-4(15)2(13)1-14-5(3)7(10,11)12/h1,6H,(H,14,15).
What are the key properties of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 339.00 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130082730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).