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

C7H3F5INO — CID 130082731

IUPAC5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5INO/c8-6(9)2-1-14-5(7(10,11)12)3(13)4(2)15/h1,6H,(H,14,15)
InChIKeyGASXYQJETFPNLY-UHFFFAOYSA-N
MW339.00 g/mol
LogP2.94
Rot. Bonds1

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

5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 130082731) has the molecular formula C7H3F5INO and a molecular weight of 339.00 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID130082731
Molecular FormulaC7H3F5INO
Molecular Weight339.00 g/mol
Exact Mass338.92
IUPAC Name5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5INO/c8-6(9)2-1-14-5(7(10,11)12)3(13)4(2)15/h1,6H,(H,14,15)
InChIKeyGASXYQJETFPNLY-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

3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082730
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130082742
5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 130085424
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130083354
3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130110034
2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 133102528
5-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076719
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 130083110

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one (CID 130082731) is 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c(C(F)(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is GASXYQJETFPNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO/c8-6(9)2-1-14-5(7(10,11)12)3(13)4(2)15/h1,6H,(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one?
5-(difluoromethyl)-3-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 5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130082731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).