5-bromo-2-(fluoromethylsulfonylmethyl)pyridine

C7H7BrFNO2S — CID 86713181

IUPAC5-bromo-2-(fluoromethylsulfonylmethyl)pyridine
SMILESO=S(=O)(CF)Cc1ccc(Br)cn1
InChIInChI=1S/C7H7BrFNO2S/c8-6-1-2-7(10-3-6)4-13(11,12)5-9/h1-3H,4-5H2
InChIKeyJAZTWGYIFAUNBR-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.69
Rot. Bonds3

About 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine

5-bromo-2-(fluoromethylsulfonylmethyl)pyridine (PubChem CID 86713181) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(fluoromethylsulfonylmethyl)pyridine
PubChem CID86713181
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name5-bromo-2-(fluoromethylsulfonylmethyl)pyridine
SMILESO=S(=O)(CF)Cc1ccc(Br)cn1
InChIInChI=1S/C7H7BrFNO2S/c8-6-1-2-7(10-3-6)4-13(11,12)5-9/h1-3H,4-5H2
InChIKeyJAZTWGYIFAUNBR-UHFFFAOYSA-N
XLogP1.69
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine?
The IUPAC name of 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine (CID 86713181) is 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine?
The canonical SMILES for 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine is O=S(=O)(CF)Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine?
The InChIKey is JAZTWGYIFAUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c8-6-1-2-7(10-3-6)4-13(11,12)5-9/h1-3H,4-5H2.
What are the key properties of 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine?
5-bromo-2-(fluoromethylsulfonylmethyl)pyridine has a molecular weight of 268.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(fluoromethylsulfonylmethyl)pyridine is sourced from PubChem (CID 86713181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).