9H-Pyrido[2,3-b]indole - ≥98%(HPLC) , CAS No.244-76-8

CAS: 244-76-8 Cat. No.: H157002 Molecular Weight: 168.2 EC Number: 205-960-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

P2310 | DS-4768 | 9H-Pyrido[2,3-b]indole # | DTXSID40179148 | 1H-Pyrido(2,3-b)indole | STL301814 | MFCD00473709 | UNII-274Z75I9BQ | 9H-PYRIDO(2,3-B)INDOLE | Q27254162 | A853697 | alpha -Carboline | 1,9-DIAZAFLUORENE | 1-azacarbazole | DivK1c_006713 | EINE

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

P2310 | DS-4768 | 9H-Pyrido[2, 3-b]indole # | DTXSID40179148 | 1H-Pyrido(2, 3-b)indole | STL301814 | MFCD00473709 | UNII-274Z75I9BQ | 9H-PYRIDO(2, 3-B)INDOLE | Q27254162 | A853697 | alpha -Carboline | 1, 9-DIAZAFLUORENE | 1-azacarbazole | DivK1c_006713 | EINE

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504754160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754160
• Canonical Smiles: C1=CC=C2C(=C1)C3=C(N2)N=CC=C3
• IUPAC Name: 9H-pyrido[2,3-b]indole
• InChIKey: BPMFPOGUJAAYHL-UHFFFAOYSA-N
• INCHI: 1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(N2)N=CC=C3
• Molecular Weight: 168.2
• Reaxy-Rn: 128416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Pyridoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha carbolines
• Alternative Parents: Pyrrolopyridines Indoles Pyridines and derivatives Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-carboline - Pyrrolopyridine - Indole - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Flash Point(°C): 172 ºC
• Boil Point(°C): 364°C(lit.)
• Melt Point(°C): 219-220 ºC
• Molecular Weight: 168.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.069 Da
• Monoisotopic Mass: 168.069 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1