1-(difluoromethyl)-5-iodopyridin-2-one

C6H4F2INO — CID 119019439

IUPAC1-(difluoromethyl)-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1C(F)F
InChIInChI=1S/C6H4F2INO/c7-6(8)10-3-4(9)1-2-5(10)11/h1-3,6H
InChIKeyOSHJXXACVJHKQI-UHFFFAOYSA-N
MW271.00 g/mol
LogP1.85
Rot. Bonds1

About 1-(difluoromethyl)-5-iodopyridin-2-one

1-(difluoromethyl)-5-iodopyridin-2-one (PubChem CID 119019439) has the molecular formula C6H4F2INO and a molecular weight of 271.00 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-iodopyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-iodopyridin-2-one
PubChem CID119019439
Molecular FormulaC6H4F2INO
Molecular Weight271.00 g/mol
Exact Mass270.93
IUPAC Name1-(difluoromethyl)-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1C(F)F
InChIInChI=1S/C6H4F2INO/c7-6(8)10-3-4(9)1-2-5(10)11/h1-3,6H
InChIKeyOSHJXXACVJHKQI-UHFFFAOYSA-N
XLogP1.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.00
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-iodopyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-iodopyridin-2-one (CID 119019439) is 1-(difluoromethyl)-5-iodopyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-iodopyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-iodopyridin-2-one is O=c1ccc(I)cn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-iodopyridin-2-one?
The InChIKey is OSHJXXACVJHKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2INO/c7-6(8)10-3-4(9)1-2-5(10)11/h1-3,6H.
What are the key properties of 1-(difluoromethyl)-5-iodopyridin-2-one?
1-(difluoromethyl)-5-iodopyridin-2-one has a molecular weight of 271.00 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-iodopyridin-2-one is sourced from PubChem (CID 119019439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).