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

C6H3F3INO — CID 118704344

IUPAC4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(I)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-5(12)11-4/h1-2H,(H,11,12)
InChIKeyZOEAMBBAILLAAC-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.00
Rot. Bonds

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

4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704344) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704344
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(I)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-5(12)11-4/h1-2H,(H,11,12)
InChIKeyZOEAMBBAILLAAC-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, 6-(trifluoromethyl)-
CID 10154195
3-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 46318013
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
4-Fluoro-6-methylpyridin-2-OL
CID 53408005
5-chloro-3-iodo-6-(trifluoromethyl)pyridin-2(1H)-one
CID 67121042
CID 69343431
CID 69343431
4-Amino-6-(trifluoromethyl)pyridin-2(1H)-one
CID 105437262
6-fluoro-4-iodo-1H-pyridin-2-one
CID 129948943
potassium;hydride;6-(trifluoromethyl)-1H-pyridin-2-one
CID 173162064
sodium;hydride;6-(trifluoromethyl)-1H-pyridin-2-one
CID 174986412
CID 175825723
CID 175825723
potassium 6-(trifluoromethyl)-1H-pyridin-2-one
CID 18439389

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (CID 118704344) is 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(I)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZOEAMBBAILLAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-5(12)11-4/h1-2H,(H,11,12).
What are the key properties of 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
4-iodo-6-(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 4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).