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

C6H3F3INO — CID 46318013

IUPAC3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1I
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,(H,11,12)
InChIKeyQVUADYQOARPRMD-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.00
Rot. Bonds

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

3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 46318013) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID46318013
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1I
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,(H,11,12)
InChIKeyQVUADYQOARPRMD-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
4-Iodo-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 118704344
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
5-chloro-3-iodo-6-(trifluoromethyl)pyridin-2(1H)-one
CID 67121042
1-Iodo-6-(trifluoromethyl)pyridin-2-one
CID 171776551
5-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 72183135
3-Fluoro-6-hydroxy-2-(trifluoromethyl)pyridine
CID 82600811
3-Fluoro-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118703923
4-Fluoro-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704288
2-(Difluoromethyl)-6-hydroxy-3-iodo-5-(trifluoromethyl)pyridine
CID 118803834
4-Amino-6-(difluoromethyl)-3-iodopyridin-2-ol
CID 118811898
2-(Difluoromethyl)-4-fluoro-6-hydroxy-3-iodopyridine
CID 118820764

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (CID 46318013) is 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1I.
What is the InChIKey of 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QVUADYQOARPRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,(H,11,12).
What are the key properties of 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
3-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 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 46318013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).