3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C7H3BrF5NO — CID 130110303

IUPAC3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)c(C(F)F)cc1Br
InChIInChI=1S/C7H3BrF5NO/c8-3-1-2(5(9)10)4(7(11,12)13)14-6(3)15/h1,5H,(H,14,15)
InChIKeyPHKYFBGGWBGFDR-UHFFFAOYSA-N
MW292.00 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130110303) has the molecular formula C7H3BrF5NO and a molecular weight of 292.00 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130110303
Molecular FormulaC7H3BrF5NO
Molecular Weight292.00 g/mol
Exact Mass290.93
IUPAC Name3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)c(C(F)F)cc1Br
InChIInChI=1S/C7H3BrF5NO/c8-3-1-2(5(9)10)4(7(11,12)13)14-6(3)15/h1,5H,(H,14,15)
InChIKeyPHKYFBGGWBGFDR-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133102983
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-sulfonamide
CID 130110666
3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130082727
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130110337
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130104763
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
5-amino-3-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101701

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 130110303) is 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)c(C(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PHKYFBGGWBGFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF5NO/c8-3-1-2(5(9)10)4(7(11,12)13)14-6(3)15/h1,5H,(H,14,15).
What are the key properties of 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 292.00 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130110303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).