1-Boc-7-azaindole-3-carboxaldehyde - ≥97% , CAS No.144657-66-9

CAS: 144657-66-9 Cat. No.: T629273 Molecular Weight: 246.27 EC Number: 623-965-5 PubChem CID: 11806939

GRADE & PURITY ≥97%

Synonyms

AMY35516 | J-524541 | J-007995 | SB15744 | TD8087 | tert-Butyl3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | SY066601 | GFZQRKMUXOECFL-UHFFFAOYSA-N | DTXSID80473197 | SCHEMBL3707206 | 1-Boc-7-azaindole-3-carboxaldehyde | 1-Boc-3-formyl-7-azaindole | F

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AMY35516 | J-524541 | J-007995 | SB15744 | TD8087 | tert-Butyl3-formyl-1H-pyrrolo[2, 3-b]pyridine-1-carboxylate | SY066601 | GFZQRKMUXOECFL-UHFFFAOYSA-N | DTXSID80473197 | SCHEMBL3707206 | 1-Boc-7-azaindole-3-carboxaldehyde | 1-Boc-3-formyl-7-azaindole | F

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C=O
• IUPAC Name: tert-butyl 3-formylpyrrolo[2,3-b]pyridine-1-carboxylate
• InChIKey: GFZQRKMUXOECFL-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O3/c1-13(2,3)18-12(17)15-7-9(8-16)10-5-4-6-14-11(10)15/h4-8H,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C=O
• WGK Germany: 3
• Alternate CAS: 144657-66-9
• PubChem CID: 11806939
• Molecular Weight: 246.27

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: Pyrrole carboxylic acids and derivatives Aryl-aldehydes Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyrrole-1-carboxylic acid or derivatives - Aryl-aldehyde - Pyridine - Substituted pyrrole - Vinylogous amide - Pyrrole - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 246.260 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.1 Da
• Monoisotopic Mass: 246.1 Da
• Topological Polar Surface Area: 61.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 338.000
• 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