2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one

C6H3F3INO — CID 118704352

IUPAC2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(12)2-5(10)11-4/h1-2H,(H,11,12)
InChIKeyDMRYPMXMNGWXBB-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.00
Rot. Bonds

About 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one

2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118704352) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118704352
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(12)2-5(10)11-4/h1-2H,(H,11,12)
InChIKeyDMRYPMXMNGWXBB-UHFFFAOYSA-N
XLogP2.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.99
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-Bis(trifluoromethyl)-4-pyridinol
CID 595786
5-Iodo-2-(trifluoromethyl)-4-pyridinol
CID 58053807
2-Chloro-6-(trifluoromethyl)pyridin-4-ol
CID 73554452
4-Hydroxy-3-iodo-2-(trifluoromethyl)pyridine
CID 118704353
6-chloro-3-fluoro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 178769153
3-Iodo-2,6-bis-trifluoromethyl-pyridin-4-ol
CID 75530171
2-Bromo-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704105
2-Fluoro-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704284
2-(Difluoromethyl)-3,6-diiodo-4-hydroxypyridine
CID 118814793
2-(Difluoromethyl)-4-hydroxy-3-iodo-6-(trifluoromethyl)pyridine
CID 118814972
2-(Difluoromethyl)-4-hydroxy-3-iodo-6-methylpyridine
CID 118820624
2-(Difluoromethyl)-4-hydroxy-3-iodo-6-(trifluoromethoxy)pyridine
CID 118820777

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118704352) is 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(I)[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is DMRYPMXMNGWXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(12)2-5(10)11-4/h1-2H,(H,11,12).
What are the key properties of 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one?
2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 288.99 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118704352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).