2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine

C9H11BrN2O2S — CID 71636402

IUPAC2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccc(Br)n1)[C@H]1CCNC1
InChIInChI=1S/C9H11BrN2O2S/c10-8-2-1-3-9(12-8)15(13,14)7-4-5-11-6-7/h1-3,7,11H,4-6H2/t7-/m0/s1
InChIKeyPUBMRWUMSBDPAU-ZETCQYMHSA-N
MW291.17 g/mol
LogP0.98
Rot. Bonds2

About 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine

2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine (PubChem CID 71636402) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
PubChem CID71636402
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccc(Br)n1)[C@H]1CCNC1
InChIInChI=1S/C9H11BrN2O2S/c10-8-2-1-3-9(12-8)15(13,14)7-4-5-11-6-7/h1-3,7,11H,4-6H2/t7-/m0/s1
InChIKeyPUBMRWUMSBDPAU-ZETCQYMHSA-N
XLogP0.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71640189
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314
2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride
CID 71645544
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride
CID 56831277
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
The IUPAC name of 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine (CID 71636402) is 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine.
What is the SMILES notation for 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
The canonical SMILES for 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine is O=S(=O)(c1cccc(Br)n1)[C@H]1CCNC1.
What is the InChIKey of 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
The InChIKey is PUBMRWUMSBDPAU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-8-2-1-3-9(12-8)15(13,14)7-4-5-11-6-7/h1-3,7,11H,4-6H2/t7-/m0/s1.
What are the key properties of 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine has a molecular weight of 291.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine is sourced from PubChem (CID 71636402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).