4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one

C6H2BrF3INO2 — CID 118805807

IUPAC4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(Br)c1I
InChIInChI=1S/C6H2BrF3INO2/c7-3-2(14-6(8,9)10)1-12-5(13)4(3)11/h1H,(H,12,13)
InChIKeyPWSAJHZDTCKWNZ-UHFFFAOYSA-N
MW383.89 g/mol
LogP2.64
Rot. Bonds1

About 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one

4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118805807) has the molecular formula C6H2BrF3INO2 and a molecular weight of 383.89 g/mol. Its IUPAC name is 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118805807
Molecular FormulaC6H2BrF3INO2
Molecular Weight383.89 g/mol
Exact Mass382.83
IUPAC Name4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(Br)c1I
InChIInChI=1S/C6H2BrF3INO2/c7-3-2(14-6(8,9)10)1-12-5(13)4(3)11/h1H,(H,12,13)
InChIKeyPWSAJHZDTCKWNZ-UHFFFAOYSA-N
XLogP2.64
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118805807) is 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)c(Br)c1I.
What is the InChIKey of 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is PWSAJHZDTCKWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3INO2/c7-3-2(14-6(8,9)10)1-12-5(13)4(3)11/h1H,(H,12,13).
What are the key properties of 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 383.89 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118805807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).