3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one

C6H2Br2F3NO2 — CID 130093616

IUPAC3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(OC(F)(F)F)c1Br
InChIInChI=1S/C6H2Br2F3NO2/c7-2-1-12-5(13)3(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyJYQPNBODWJQDBC-UHFFFAOYSA-N
MW336.89 g/mol
LogP2.80
Rot. Bonds1

About 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one

3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130093616) has the molecular formula C6H2Br2F3NO2 and a molecular weight of 336.89 g/mol. Its IUPAC name is 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130093616
Molecular FormulaC6H2Br2F3NO2
Molecular Weight336.89 g/mol
Exact Mass334.84
IUPAC Name3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(OC(F)(F)F)c1Br
InChIInChI=1S/C6H2Br2F3NO2/c7-2-1-12-5(13)3(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyJYQPNBODWJQDBC-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

Analyze 3,5-dibromo-4-(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

Related Compounds

5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131115667
4-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134680867
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918
4-(bromomethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112433
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119010745
4-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134666315
5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131614321
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
5-(bromomethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 134666729
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 130093616) is 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(Br)c(OC(F)(F)F)c1Br.
What is the InChIKey of 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JYQPNBODWJQDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2F3NO2/c7-2-1-12-5(13)3(8)4(2)14-6(9,10)11/h1H,(H,12,13).
What are the key properties of 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
3,5-dibromo-4-(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 3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130093616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).