4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one

C6H2Br2F3NO2 — CID 119010745

IUPAC4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(Br)c(OC(F)(F)F)c(Br)[nH]1
InChIInChI=1S/C6H2Br2F3NO2/c7-2-1-3(13)12-5(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyGOJJBYSREOOXKQ-UHFFFAOYSA-N
MW336.89 g/mol
LogP2.80
Rot. Bonds1

About 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one

4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 119010745) has the molecular formula C6H2Br2F3NO2 and a molecular weight of 336.89 g/mol. Its IUPAC name is 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID119010745
Molecular FormulaC6H2Br2F3NO2
Molecular Weight336.89 g/mol
Exact Mass334.84
IUPAC Name4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(Br)c(OC(F)(F)F)c(Br)[nH]1
InChIInChI=1S/C6H2Br2F3NO2/c7-2-1-3(13)12-5(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyGOJJBYSREOOXKQ-UHFFFAOYSA-N
XLogP2.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 119010745) is 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(Br)c(OC(F)(F)F)c(Br)[nH]1.
What is the InChIKey of 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GOJJBYSREOOXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2F3NO2/c7-2-1-3(13)12-5(8)4(2)14-6(9,10)11/h1H,(H,12,13).
What are the key properties of 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 336.89 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 119010745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).