5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine

C7H7BrFNO2S — CID 90074665

IUPAC5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine
SMILESCS(=O)(=O)C(F)c1ccc(Br)cn1
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)7(9)6-3-2-5(8)4-10-6/h2-4,7H,1H3
InChIKeyCVGVZVSWSYYNRO-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.86
Rot. Bonds2

About 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine

5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine (PubChem CID 90074665) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine
PubChem CID90074665
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine
SMILESCS(=O)(=O)C(F)c1ccc(Br)cn1
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)7(9)6-3-2-5(8)4-10-6/h2-4,7H,1H3
InChIKeyCVGVZVSWSYYNRO-UHFFFAOYSA-N
XLogP1.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine (CID 90074665) is 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine is CS(=O)(=O)C(F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine?
The InChIKey is CVGVZVSWSYYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-13(11,12)7(9)6-3-2-5(8)4-10-6/h2-4,7H,1H3.
What are the key properties of 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine?
5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine has a molecular weight of 268.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[fluoro(methylsulfonyl)methyl]pyridine is sourced from PubChem (CID 90074665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).