3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine

C8H7BrF2N2O2S — CID 58522069

IUPAC3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CC(F)(F)C1
InChIInChI=1S/C8H7BrF2N2O2S/c9-6-1-7(3-12-2-6)16(14,15)13-4-8(10,11)5-13/h1-3H,4-5H2
InChIKeyMJJDVUDYPXNVLS-UHFFFAOYSA-N
MW313.12 g/mol
LogP1.48
Rot. Bonds2

About 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine

3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine (PubChem CID 58522069) has the molecular formula C8H7BrF2N2O2S and a molecular weight of 313.12 g/mol. Its IUPAC name is 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine
PubChem CID58522069
Molecular FormulaC8H7BrF2N2O2S
Molecular Weight313.12 g/mol
Exact Mass311.94
IUPAC Name3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CC(F)(F)C1
InChIInChI=1S/C8H7BrF2N2O2S/c9-6-1-7(3-12-2-6)16(14,15)13-4-8(10,11)5-13/h1-3H,4-5H2
InChIKeyMJJDVUDYPXNVLS-UHFFFAOYSA-N
XLogP1.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine (CID 58522069) is 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine is O=S(=O)(c1cncc(Br)c1)N1CC(F)(F)C1.
What is the InChIKey of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
The InChIKey is MJJDVUDYPXNVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2S/c9-6-1-7(3-12-2-6)16(14,15)13-4-8(10,11)5-13/h1-3H,4-5H2.
What are the key properties of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine has a molecular weight of 313.12 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58522069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).