3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one

C7H5F3INO2 — CID 118810560

IUPAC3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]c(OC(F)(F)F)cc(=O)c1I
InChIInChI=1S/C7H5F3INO2/c1-3-6(11)4(13)2-5(12-3)14-7(8,9)10/h2H,1H3,(H,12,13)
InChIKeyPOHBYLFODBDOFT-UHFFFAOYSA-N
MW319.02 g/mol
LogP2.19
Rot. Bonds1

About 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one

3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118810560) has the molecular formula C7H5F3INO2 and a molecular weight of 319.02 g/mol. Its IUPAC name is 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118810560
Molecular FormulaC7H5F3INO2
Molecular Weight319.02 g/mol
Exact Mass318.93
IUPAC Name3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]c(OC(F)(F)F)cc(=O)c1I
InChIInChI=1S/C7H5F3INO2/c1-3-6(11)4(13)2-5(12-3)14-7(8,9)10/h2H,1H3,(H,12,13)
InChIKeyPOHBYLFODBDOFT-UHFFFAOYSA-N
XLogP2.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridin-4-ol
CID 118704364
2-(Difluoromethyl)-4-hydroxy-6-methoxypyridine
CID 118803454
2-(Difluoromethyl)-4-hydroxy-3-iodo-6-methylpyridine
CID 118820624
2-(Difluoromethyl)-4-hydroxy-3-iodo-6-(trifluoromethoxy)pyridine
CID 118820777
2-(Difluoromethyl)-4-hydroxy-3-iodo-6-methoxypyridine
CID 118826395
6-iodo-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118827383
2-(Difluoromethyl)-3-fluoro-4-hydroxy-6-iodopyridine
CID 118831646
2-(Difluoromethyl)-4-hydroxy-6-iodo-3-methoxypyridine
CID 118831922
2-(Difluoromethyl)-6-fluoro-4-hydroxy-3-iodopyridine
CID 118832206
2-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118838766
3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118844262
2-(Difluoromethyl)-6-iodopyridin-4-ol
CID 118991393

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one (CID 118810560) is 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one is Cc1[nH]c(OC(F)(F)F)cc(=O)c1I.
What is the InChIKey of 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is POHBYLFODBDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO2/c1-3-6(11)4(13)2-5(12-3)14-7(8,9)10/h2H,1H3,(H,12,13).
What are the key properties of 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one?
3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 319.02 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-6-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118810560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).