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2-(N-methanesulfonyl-4-piperidinyloxy)-5-chloropyridine

HCID 22719719
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
260441-45-0
Standard SMILES
CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIKey
JTZDWXOSZJWUGF-UHFFFAOYSA-N
Molecular formula
C11H15ClN2O3S
Average molar mass
290.77 g/mol
Monoisotopic mass
290.04919102

Names & identifiers

Preferred name
2-(N-methanesulfonyl-4-piperidinyloxy)-5-chloropyridine
IUPAC
5-chloro-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine

Names & synonyms

2-(N-methanesulfonyl-4-piperidinyloxy)-5-chloropyridine260441-45-0SCHEMBL941502JTZDWXOSZJWUGF-UHFFFAOYSA-NDTXSID2011919735-chloro-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine5-Chloro-2-(1-methanesulfonyl-piperidine-4-yloxy)-pyridine5-Chloro-2-[[1-(methylsulfonyl)-4-piperidinyl]oxy]pyridine5-Chloro-2-{[1-(methanesulfonyl)piperidin-4-yl]oxy}pyridine

Database identifiers

CAS
260441-45-0
PubChem CID
22719719
DTXSID
DTXSID201191973

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
363

Related reactions

10 records
New reaction record
HRID 32379 reaction equation
HRID 32379As productuspto-grants-2008_09
HRID 116911 reaction equation
HRID 116911As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 177386 reaction equation
HRID 177386As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 293433 reaction equation
HRID 293433As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 685383 reaction equation
HRID 685383As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 955934 reaction equation
HRID 955934As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1392150 reaction equation
HRID 1392150As productuspto-grants-2008_03
HRID 1582064 reaction equation
HRID 1582064As productuspto-grants-2004_05
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Compound notes

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