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

C6H3F3INO — CID 11522099

IUPAC5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(I)cc1C(F)(F)F
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKeyACMILMILHHLANU-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.00
Rot. Bonds

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

5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 11522099) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID11522099
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(I)cc1C(F)(F)F
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKeyACMILMILHHLANU-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 13491780
3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
3-Iodo-5-(Trifluoromethyl)Pyridin-2-Ol
CID 46315209
5-Fluoro-3-iodopyridin-2(1H)-one
CID 46737827
5-Iodo-3-methylpyridin-2-ol
CID 2727059
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867
5-Fluoro-3-methylpyridin-2-OL
CID 60150205
5-Bromo-3-(difluoromethyl)pyridin-2(1H)-one
CID 67979901
3-(1,1-difluoroethyl)-5-iodo-1H-pyridin-2-one
CID 68080243
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555
1-Methyl-3-(trifluoromethyl)-5-iodopyridine-2(1H)-one
CID 71737238

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one (CID 11522099) is 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(I)cc1C(F)(F)F.
What is the InChIKey of 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ACMILMILHHLANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12).
What are the key properties of 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one?
5-iodo-3-(trifluoromethyl)-1H-pyridin-2-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 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 11522099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).