1-(2,2-difluoroethyl)-4-iodopyridin-2-one

C7H6F2INO — CID 87337191

IUPAC1-(2,2-difluoroethyl)-4-iodopyridin-2-one
SMILESO=c1cc(I)ccn1CC(F)F
InChIInChI=1S/C7H6F2INO/c8-6(9)4-11-2-1-5(10)3-7(11)12/h1-3,6H,4H2
InChIKeyDPMPCPGNNPUTHA-UHFFFAOYSA-N
MW285.03 g/mol
LogP1.72
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-iodopyridin-2-one

1-(2,2-difluoroethyl)-4-iodopyridin-2-one (PubChem CID 87337191) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-iodopyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-iodopyridin-2-one
PubChem CID87337191
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name1-(2,2-difluoroethyl)-4-iodopyridin-2-one
SMILESO=c1cc(I)ccn1CC(F)F
InChIInChI=1S/C7H6F2INO/c8-6(9)4-11-2-1-5(10)3-7(11)12/h1-3,6H,4H2
InChIKeyDPMPCPGNNPUTHA-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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Related Compounds

1-(Difluoromethyl)-1,2-dihydropyridin-2-one
CID 23054858
1-(Difluoromethyl)-5-iodopyridin-2(1H)-one
CID 119019439
1-Trifluoroacetylpyridine
CID 23145232
1-(Trifluoromethyl)pyridin-2-one
CID 20264292
4-Bromo-1-(2,2-difluoroethyl)pyridin-2(1H)-one
CID 23115986
4-Sulfanyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 54411685
1-Difluoromethyl-4-iodo-1H-pyridin-2-one
CID 58102361
5-Iodo-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 59541751
1-(2-fluoroethyl)-4-iodopyridin-2(1H)-one
CID 59635767
4-iodo-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 66736983
2(1H)-Pyridinone, 1-(2,2,2-trifluoroethyl)-
CID 69719048
1-(2,2-Difluoroethyl)-5-iodopyridin-2-one
CID 79784936

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-iodopyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-4-iodopyridin-2-one (CID 87337191) is 1-(2,2-difluoroethyl)-4-iodopyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-iodopyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-iodopyridin-2-one is O=c1cc(I)ccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-iodopyridin-2-one?
The InChIKey is DPMPCPGNNPUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c8-6(9)4-11-2-1-5(10)3-7(11)12/h1-3,6H,4H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-iodopyridin-2-one?
1-(2,2-difluoroethyl)-4-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)-4-iodopyridin-2-one is sourced from PubChem (CID 87337191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).