4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one

C6H3F3INO — CID 118812514

IUPAC4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(F)c(I)[nH]1
InChIInChI=1S/C6H3F3INO/c7-4-2(5(8)9)1-3(12)11-6(4)10/h1,5H,(H,11,12)
InChIKeySRSZIRSNAIUSGC-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.06
Rot. Bonds1

About 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one

4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one (PubChem CID 118812514) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one
PubChem CID118812514
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(F)c(I)[nH]1
InChIInChI=1S/C6H3F3INO/c7-4-2(5(8)9)1-3(12)11-6(4)10/h1,5H,(H,11,12)
InChIKeySRSZIRSNAIUSGC-UHFFFAOYSA-N
XLogP2.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.99
LogP ≤ 52.06
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

6-Chloro-4-(trifluoromethyl)pyridin-2-ol
CID 20455690
2-Hydroxy-6-iodo-4-(trifluoromethyl)pyridine
CID 20455692
6-Bromo-4-(trifluoromethyl)pyridin-2(1H)-one
CID 20455694
2-Hydroxy-5-iodo-4-(trifluoromethyl)pyridine
CID 91926634
4-(Difluoromethyl)-5-iodo-6-(trifluoromethoxy)pyridin-2-ol
CID 118800367
4-(Difluoromethyl)-6-fluoro-3-iodopyridin-2-ol
CID 118801358
4-(Difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridin-2-ol
CID 118807122
4-(Difluoromethyl)-6-iodo-3-methylpyridin-2-ol
CID 118818108
4-(Difluoromethyl)-6-fluoropyridin-2-ol
CID 118818506
4-(Difluoromethyl)-5,6-diiodopyridin-2-ol
CID 118823820
4-(Difluoromethyl)-5-iodopyridin-2-ol
CID 118824020
4-(Difluoromethyl)-6-fluoro-5-methylpyridin-2-ol
CID 118828819

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one (CID 118812514) is 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one is O=c1cc(C(F)F)c(F)c(I)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one?
The InChIKey is SRSZIRSNAIUSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-4-2(5(8)9)1-3(12)11-6(4)10/h1,5H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one?
4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one has a molecular weight of 288.99 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118812514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).