3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one

C7H6F2INO — CID 170115897

IUPAC3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CC(F)F
InChIInChI=1S/C7H6F2INO/c8-5(9)3-4-1-2-6(10)11-7(4)12/h1-2,5H,3H2,(H,11,12)
InChIKeyPLHWQZCKUMMLOI-UHFFFAOYSA-N
MW285.03 g/mol
LogP1.79
Rot. Bonds2

About 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one

3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one (PubChem CID 170115897) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one
PubChem CID170115897
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(I)ccc1CC(F)F
InChIInChI=1S/C7H6F2INO/c8-5(9)3-4-1-2-6(10)11-7(4)12/h1-2,5H,3H2,(H,11,12)
InChIKeyPLHWQZCKUMMLOI-UHFFFAOYSA-N
XLogP1.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one?
The IUPAC name of 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one (CID 170115897) is 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one is O=c1[nH]c(I)ccc1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one?
The InChIKey is PLHWQZCKUMMLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c8-5(9)3-4-1-2-6(10)11-7(4)12/h1-2,5H,3H2,(H,11,12).
What are the key properties of 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one?
3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one has a molecular weight of 285.03 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-6-iodo-1H-pyridin-2-one is sourced from PubChem (CID 170115897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).