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

C7H6F2INO — CID 118818108

IUPAC4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(I)[nH]c1=O
InChIInChI=1S/C7H6F2INO/c1-3-4(6(8)9)2-5(10)11-7(3)12/h2,6H,1H3,(H,11,12)
InChIKeyWMTQBLFFANYTND-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.23
Rot. Bonds1

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

4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one (PubChem CID 118818108) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one
PubChem CID118818108
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(I)[nH]c1=O
InChIInChI=1S/C7H6F2INO/c1-3-4(6(8)9)2-5(10)11-7(3)12/h2,6H,1H3,(H,11,12)
InChIKeyWMTQBLFFANYTND-UHFFFAOYSA-N
XLogP2.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-6-iodo-4-(trifluoromethyl)pyridine
CID 20455692
2-Hydroxy-6-iodo-3-(trifluoromethyl)pyridine
CID 130981749
6-iodo-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 169148999
3-ethyl-4-fluoro-6-iodo-1H-pyridin-2-one
CID 170115872
3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one
CID 170115897
4-(Difluoromethyl)-6-fluoro-3-iodopyridin-2-ol
CID 118801358
4-(Difluoromethyl)-5-fluoro-6-iodopyridin-2-ol
CID 118812514
4-(Difluoromethyl)-2-hydroxy-6-iodonicotinaldehyde
CID 118812648
4-(Difluoromethyl)-6-fluoro-5-iodopyridin-2-ol
CID 118829494
4-(Difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridin-2-ol
CID 118829779
3-(Difluoromethyl)-2-hydroxy-6-iodoisonicotinonitrile
CID 118833540
4-(Difluoromethyl)-6-fluoro-3-methylpyridin-2-ol
CID 118834231

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one (CID 118818108) is 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one is Cc1c(C(F)F)cc(I)[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one?
The InChIKey is WMTQBLFFANYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c1-3-4(6(8)9)2-5(10)11-7(3)12/h2,6H,1H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one?
4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one has a molecular weight of 285.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-iodo-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118818108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).