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

C10H13BrN2O2S — CID 97178191

IUPAC2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccc(Br)n1)[C@H]1CCCNC1
InChIInChI=1S/C10H13BrN2O2S/c11-9-4-1-5-10(13-9)16(14,15)8-3-2-6-12-7-8/h1,4-5,8,12H,2-3,6-7H2/t8-/m0/s1
InChIKeyCNVLCIXJDXHWRO-QMMMGPOBSA-N
MW305.20 g/mol
LogP1.37
Rot. Bonds2

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

2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine (PubChem CID 97178191) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
PubChem CID97178191
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccc(Br)n1)[C@H]1CCCNC1
InChIInChI=1S/C10H13BrN2O2S/c11-9-4-1-5-10(13-9)16(14,15)8-3-2-6-12-7-8/h1,4-5,8,12H,2-3,6-7H2/t8-/m0/s1
InChIKeyCNVLCIXJDXHWRO-QMMMGPOBSA-N
XLogP1.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.37
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)-pyrrolidin-3-yl]sulfonylpyridine
CID 71636402
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
2-piperidin-3-ylsulfonyl-1,3-benzothiazole
CID 71645533
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine?
The IUPAC name of 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine (CID 97178191) is 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine.
What is the SMILES notation for 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine?
The canonical SMILES for 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine is O=S(=O)(c1cccc(Br)n1)[C@H]1CCCNC1.
What is the InChIKey of 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine?
The InChIKey is CNVLCIXJDXHWRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-9-4-1-5-10(13-9)16(14,15)8-3-2-6-12-7-8/h1,4-5,8,12H,2-3,6-7H2/t8-/m0/s1.
What are the key properties of 2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine?
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine has a molecular weight of 305.20 g/mol, XLogP of 1.37, 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)-piperidin-3-yl]sulfonylpyridine is sourced from PubChem (CID 97178191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).