2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one

C16H10BrF4N3O3S — CID 68529851

IUPAC2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(c2ncc(F)cc2Br)C1
InChIInChI=1S/C16H10BrF4N3O3S/c17-12-5-9(18)7-23-15(12)13-6-10(25)3-4-24(13)28(26,27)11-1-2-14(22-8-11)16(19,20)21/h1-5,7-8,13H,6H2
InChIKeyWHVGLMZKPYEKRX-UHFFFAOYSA-N
MW480.24 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one

2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one (PubChem CID 68529851) has the molecular formula C16H10BrF4N3O3S and a molecular weight of 480.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one
PubChem CID68529851
Molecular FormulaC16H10BrF4N3O3S
Molecular Weight480.24 g/mol
Exact Mass478.96
IUPAC Name2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(c2ncc(F)cc2Br)C1
InChIInChI=1S/C16H10BrF4N3O3S/c17-12-5-9(18)7-23-15(12)13-6-10(25)3-4-24(13)28(26,27)11-1-2-14(22-8-11)16(19,20)21/h1-5,7-8,13H,6H2
InChIKeyWHVGLMZKPYEKRX-UHFFFAOYSA-N
XLogP3.62
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one?
The IUPAC name of 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one (CID 68529851) is 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one is O=C1C=CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(c2ncc(F)cc2Br)C1.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one?
The InChIKey is WHVGLMZKPYEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF4N3O3S/c17-12-5-9(18)7-23-15(12)13-6-10(25)3-4-24(13)28(26,27)11-1-2-14(22-8-11)16(19,20)21/h1-5,7-8,13H,6H2.
What are the key properties of 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one?
2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one has a molecular weight of 480.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-pyridinyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 68529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).