5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine

C8H9BrFNO2S — CID 161296269

IUPAC5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine
SMILESO=S(=O)(CF)CCc1ccc(Br)cn1
InChIInChI=1S/C8H9BrFNO2S/c9-7-1-2-8(11-5-7)3-4-14(12,13)6-10/h1-2,5H,3-4,6H2
InChIKeyVGZYCQMDGWWYDC-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.73
Rot. Bonds4

About 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine

5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine (PubChem CID 161296269) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine
PubChem CID161296269
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC Name5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine
SMILESO=S(=O)(CF)CCc1ccc(Br)cn1
InChIInChI=1S/C8H9BrFNO2S/c9-7-1-2-8(11-5-7)3-4-14(12,13)6-10/h1-2,5H,3-4,6H2
InChIKeyVGZYCQMDGWWYDC-UHFFFAOYSA-N
XLogP1.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87273679
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
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(5-bromo-2-pyridinyl)methylboronic acid
CID 104811315
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5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine?
The IUPAC name of 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine (CID 161296269) is 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine is O=S(=O)(CF)CCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine?
The InChIKey is VGZYCQMDGWWYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c9-7-1-2-8(11-5-7)3-4-14(12,13)6-10/h1-2,5H,3-4,6H2.
What are the key properties of 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine?
5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine has a molecular weight of 282.13 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine is sourced from PubChem (CID 161296269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).