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

C7H2F6INO — CID 75530171

IUPAC3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C7H2F6INO/c8-6(9,10)3-1-2(16)4(14)5(15-3)7(11,12)13/h1H,(H,15,16)
InChIKeyISBSZEBHXQBJFC-UHFFFAOYSA-N
MW356.99 g/mol
LogP3.02
Rot. Bonds

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

3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 75530171) has the molecular formula C7H2F6INO and a molecular weight of 356.99 g/mol. Its IUPAC name is 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one
PubChem CID75530171
Molecular FormulaC7H2F6INO
Molecular Weight356.99 g/mol
Exact Mass356.91
IUPAC Name3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C7H2F6INO/c8-6(9,10)3-1-2(16)4(14)5(15-3)7(11,12)13/h1H,(H,15,16)
InChIKeyISBSZEBHXQBJFC-UHFFFAOYSA-N
XLogP3.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 53.02
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

2,6-Bis(trifluoromethyl)-4-pyridinol
CID 595786
6-chloro-3-fluoro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 178769153
3,5-Diiodo-2,6-bis(trifluoromethyl)pyridin-4-ol
CID 75406299
2-Fluoro-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704284
4-Hydroxy-2-iodo-6-(trifluoromethyl)pyridine
CID 118704352
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
2-(Difluoromethyl)-3-fluoro-4-hydroxy-6-iodopyridine
CID 118831646
2-(Difluoromethyl)-6-fluoro-4-hydroxy-3-iodopyridine
CID 118832206
3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118844262

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one (CID 75530171) is 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]c(C(F)(F)F)c1I.
What is the InChIKey of 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is ISBSZEBHXQBJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6INO/c8-6(9,10)3-1-2(16)4(14)5(15-3)7(11,12)13/h1H,(H,15,16).
What are the key properties of 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one?
3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 356.99 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,6-bis(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 75530171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).