5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine

C11H14BrClN2O3S — CID 55870113

IUPAC5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
SMILESCOC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C11H14BrClN2O3S/c1-18-9-2-4-15(5-3-9)19(16,17)10-6-8(12)7-14-11(10)13/h6-7,9H,2-5H2,1H3
InChIKeyDSPDEZOYIPIXJD-UHFFFAOYSA-N
MW369.67 g/mol
LogP2.30
Rot. Bonds3

About 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine

5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine (PubChem CID 55870113) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
PubChem CID55870113
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
SMILESCOC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C11H14BrClN2O3S/c1-18-9-2-4-15(5-3-9)19(16,17)10-6-8(12)7-14-11(10)13/h6-7,9H,2-5H2,1H3
InChIKeyDSPDEZOYIPIXJD-UHFFFAOYSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-Bromo-2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]pyridine
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Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate
CID 3866685
5-Bromo-2-chloropyridine-3-sulfonyl chloride
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5-Bromo-6-chloropyridine-3-sulfonyl chloride
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1-(5-Bromo-6-chloropyridin-3-yl)sulfonylazepane
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CID 4730022
3-Bromo-2-chloro-5-methanesulfonylpyridine
CID 58010568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine (CID 55870113) is 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine is COC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine?
The InChIKey is DSPDEZOYIPIXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-18-9-2-4-15(5-3-9)19(16,17)10-6-8(12)7-14-11(10)13/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine?
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine has a molecular weight of 369.67 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 55870113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).