1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone

C7H6F5NOS — CID 170239051

IUPAC1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(S(F)(F)(F)(F)F)n1
InChIInChI=1S/C7H6F5NOS/c1-5(14)6-3-2-4-7(13-6)15(8,9,10,11)12/h2-4H,1H3
InChIKeyPTNWNAAVQCOQSX-UHFFFAOYSA-N
MW247.19 g/mol
LogP3.94
Rot. Bonds2

About 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone

1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone (PubChem CID 170239051) has the molecular formula C7H6F5NOS and a molecular weight of 247.19 g/mol. Its IUPAC name is 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone
PubChem CID170239051
Molecular FormulaC7H6F5NOS
Molecular Weight247.19 g/mol
Exact Mass247.01
IUPAC Name1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(S(F)(F)(F)(F)F)n1
InChIInChI=1S/C7H6F5NOS/c1-5(14)6-3-2-4-7(13-6)15(8,9,10,11)12/h2-4H,1H3
InChIKeyPTNWNAAVQCOQSX-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
CID 88957229
CID 88957229
1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 143596814
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
1-(6-prop-1-ynyl-2-pyridinyl)ethanone
CID 155273358
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400
1-(6-diethylphosphanyl-2-pyridinyl)ethanone
CID 174420548
1-(6-acetyl-2-pyridinyl)-1-aminopropan-2-one
CID 67820848
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
1-(6-acetyl-2-pyridinyl)ethanone;bis(2,6-di(propan-2-yl)aniline)
CID 122573036
1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone
CID 167351249

Frequently Asked Questions

What is the IUPAC name of 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone (CID 170239051) is 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone is CC(=O)c1cccc(S(F)(F)(F)(F)F)n1.
What is the InChIKey of 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone?
The InChIKey is PTNWNAAVQCOQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5NOS/c1-5(14)6-3-2-4-7(13-6)15(8,9,10,11)12/h2-4H,1H3.
What are the key properties of 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone?
1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone has a molecular weight of 247.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(pentafluoro-λ6-sulfanyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 170239051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).