1-(2,2-difluoroethyl)-5-iodopyridin-2-one

C7H6F2INO — CID 79784936

IUPAC1-(2,2-difluoroethyl)-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1CC(F)F
InChIInChI=1S/C7H6F2INO/c8-6(9)4-11-3-5(10)1-2-7(11)12/h1-3,6H,4H2
InChIKeyGHGORHIVKACZPF-UHFFFAOYSA-N
MW285.03 g/mol
LogP1.72
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-iodopyridin-2-one

1-(2,2-difluoroethyl)-5-iodopyridin-2-one (PubChem CID 79784936) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-iodopyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-iodopyridin-2-one
PubChem CID79784936
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name1-(2,2-difluoroethyl)-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1CC(F)F
InChIInChI=1S/C7H6F2INO/c8-6(9)4-11-3-5(10)1-2-7(11)12/h1-3,6H,4H2
InChIKeyGHGORHIVKACZPF-UHFFFAOYSA-N
XLogP1.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 51.72
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-(2,2-difluoroethyl)-5-iodopyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-5-iodopyridin-2-one (CID 79784936) is 1-(2,2-difluoroethyl)-5-iodopyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-iodopyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-iodopyridin-2-one is O=c1ccc(I)cn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-iodopyridin-2-one?
The InChIKey is GHGORHIVKACZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c8-6(9)4-11-3-5(10)1-2-7(11)12/h1-3,6H,4H2.
What are the key properties of 1-(2,2-difluoroethyl)-5-iodopyridin-2-one?
1-(2,2-difluoroethyl)-5-iodopyridin-2-one has a molecular weight of 285.03 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-iodopyridin-2-one is sourced from PubChem (CID 79784936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).