2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H3BrF5NO2 — CID 119010794

IUPAC2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H3BrF5NO2/c8-5-4(16-7(11,12)13)3(15)1-2(14-5)6(9)10/h1,6H,(H,14,15)
InChIKeyCDUVCIJRKLMOJR-UHFFFAOYSA-N
MW308.00 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one

2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 119010794) has the molecular formula C7H3BrF5NO2 and a molecular weight of 308.00 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID119010794
Molecular FormulaC7H3BrF5NO2
Molecular Weight308.00 g/mol
Exact Mass306.93
IUPAC Name2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H3BrF5NO2/c8-5-4(16-7(11,12)13)3(15)1-2(14-5)6(9)10/h1,6H,(H,14,15)
InChIKeyCDUVCIJRKLMOJR-UHFFFAOYSA-N
XLogP2.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 102030327
2-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118804484
2-(Bromomethyl)-6-(difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine
CID 118815581
2-(Bromomethyl)-6-(difluoromethyl)-4-hydroxy-3-methoxypyridine
CID 118832799
2-(bromomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118838311
2-Bromo-6-(difluoromethyl)-3-fluoropyridin-4-ol
CID 118993165
2-Amino-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-ol
CID 118996110
2-Bromo-6-(difluoromethyl)-3-methoxypyridin-4-ol
CID 118996670
2-Chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-ol
CID 118997994
6-bromo-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 119000821
2-Bromo-6-(difluoromethyl)pyridine-3,4-diol
CID 119022444
6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one
CID 130079255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 119010794) is 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(Br)c1OC(F)(F)F.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is CDUVCIJRKLMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF5NO2/c8-5-4(16-7(11,12)13)3(15)1-2(14-5)6(9)10/h1,6H,(H,14,15).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 308.00 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 119010794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).