4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one

C8H7BrF2INO2 — CID 171828288

IUPAC4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one
SMILESO=c1cc(Br)c(I)cn1CCOC(F)F
InChIInChI=1S/C8H7BrF2INO2/c9-5-3-7(14)13(4-6(5)12)1-2-15-8(10)11/h3-4,8H,1-2H2
InChIKeyVUBKHVRLNBFUKW-UHFFFAOYSA-N
MW393.95 g/mol
LogP2.45
Rot. Bonds4

About 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one

4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one (PubChem CID 171828288) has the molecular formula C8H7BrF2INO2 and a molecular weight of 393.95 g/mol. Its IUPAC name is 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one
PubChem CID171828288
Molecular FormulaC8H7BrF2INO2
Molecular Weight393.95 g/mol
Exact Mass392.87
IUPAC Name4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one
SMILESO=c1cc(Br)c(I)cn1CCOC(F)F
InChIInChI=1S/C8H7BrF2INO2/c9-5-3-7(14)13(4-6(5)12)1-2-15-8(10)11/h3-4,8H,1-2H2
InChIKeyVUBKHVRLNBFUKW-UHFFFAOYSA-N
XLogP2.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.95
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one?
The IUPAC name of 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one (CID 171828288) is 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one.
What is the SMILES notation for 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one?
The canonical SMILES for 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one is O=c1cc(Br)c(I)cn1CCOC(F)F.
What is the InChIKey of 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one?
The InChIKey is VUBKHVRLNBFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2INO2/c9-5-3-7(14)13(4-6(5)12)1-2-15-8(10)11/h3-4,8H,1-2H2.
What are the key properties of 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one?
4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one has a molecular weight of 393.95 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(difluoromethoxy)ethyl]-5-iodopyridin-2-one is sourced from PubChem (CID 171828288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).