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

C6H3BrF2INO — CID 118840049

IUPAC4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
SMILESO=c1cc(Br)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C6H3BrF2INO/c7-2-1-3(12)11-5(4(2)10)6(8)9/h1,6H,(H,11,12)
InChIKeyLJPDKUHNCKAFJU-UHFFFAOYSA-N
MW349.90 g/mol
LogP2.68
Rot. Bonds1

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

4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one (PubChem CID 118840049) has the molecular formula C6H3BrF2INO and a molecular weight of 349.90 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
PubChem CID118840049
Molecular FormulaC6H3BrF2INO
Molecular Weight349.90 g/mol
Exact Mass348.84
IUPAC Name4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
SMILESO=c1cc(Br)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C6H3BrF2INO/c7-2-1-3(12)11-5(4(2)10)6(8)9/h1,6H,(H,11,12)
InChIKeyLJPDKUHNCKAFJU-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The IUPAC name of 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one (CID 118840049) is 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one is O=c1cc(Br)c(I)c(C(F)F)[nH]1.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The InChIKey is LJPDKUHNCKAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2INO/c7-2-1-3(12)11-5(4(2)10)6(8)9/h1,6H,(H,11,12).
What are the key properties of 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one has a molecular weight of 349.90 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118840049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).