4-Chloro-7-azaindole - ≥98% , CAS No.55052-28-3

CAS: 55052-28-3 Cat. No.: C122894 Molecular Weight: 152.58 Beilstein Registry Number: 23(5)6,308 EC Number: 626-806-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL100651 | EN300-99341 | 4-Chloro-7-azaindole, 97% | AC2624 | MFCD08272232 | 4-chlor-1H-pyrrolo[2,3-b]pyridin | AN-584/43416898 | AM20061315 | BBL101292 | C2470 | R-epi-chlorohydrin | PB29499 | DTXSID50464294 | 1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO- |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL100651 | EN300-99341 | 4-Chloro-7-azaindole, 97% | AC2624 | MFCD08272232 | 4-chlor-1H-pyrrolo[2, 3-b]pyridin | AN-584/43416898 | AM20061315 | BBL101292 | C2470 | R-epi-chlorohydrin | PB29499 | DTXSID50464294 | 1H-PYRROLO[2, 3-B]PYRIDINE, 4-CHLORO- |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766365
• Canonical Smiles: C1=CNC2=NC=CC(=C21)Cl
• IUPAC Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine
• InChIKey: HNTZVGMWXCFCTA-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
• Isomeric SMILES: C1=CNC2=NC=CC(=C21)Cl
• WGK Germany: 3
• UN Number: 2811
• Molecular Weight: 152.58
• Beilstein: 23(5)6,308
• Reaxy-Rn: 907680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyridines and derivatives Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Associated Targets(Human)

PRKCI Tchem Protein kinase C iota (2821 Activities)

Discover Target: PRKCI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Melt Point(°C): 177°C
• Molecular Weight: 152.580 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.014 Da
• Monoisotopic Mass: 152.014 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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