5-(6-Chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene , CAS No.200432-88-8

CAS: 200432-88-8 Cat. No.: C668873 Molecular Weight: 234.72
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Synonyms
5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene | UB-165 | 2-(6-CHLOROPYRIDIN-3-YL)-9-AZABICYCLO[4.2.1]NON-2-ENE | CHEBI:91542 | DTXSID30405640 | BDBM50135594 | BRD-A14574269-051-01-4 | Q27163375 | 2-(6-Chloro-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-2
Storage
Room temperature
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1mg
C668873-1mg
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5mg
C668873-5mg
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$1,999.90

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene | UB-165 | 2-(6-CHLOROPYRIDIN-3-YL)-9-AZABICYCLO[4.2.1]NON-2-ENE | CHEBI:91542 | DTXSID30405640 | BDBM50135594 | BRD-A14574269-051-01-4 | Q27163375 | 2-(6-Chloro-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-2
Storage
Room temperature
Product Properties
ALogP2.5
Names and Identifiers
Canonical SmilesC1CC2CCC(N2)C(=C1)C3=CN=C(C=C3)Cl
IUPAC Name2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]non-2-ene
InChIKeyTVSNVPGPFGAKPT-UHFFFAOYSA-N
INCHI1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
Isomeric SMILES C1CC2CCC(N2)C(=C1)C3=CN=C(C=C3)Cl
Molecular Weight 234.72
Reaxy-Rn 7857194
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7857194&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAzepines
Alternative Parents 2-halopyridines  Aryl chlorides  Pyrrolidines  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Azepine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Pyrrolidine - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrna3 Neuronal acetylcholine receptor; alpha3/beta2 (421 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight234.720 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass234.092 Da
Monoisotopic Mass234.092 Da
Topological Polar Surface Area24.900 Ų
Heavy Atom Count16
Formal Charge0
Complexity290.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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