5-Methoxy-7-azaindole - ≥98% , CAS No.183208-36-8

CAS: 183208-36-8 Cat. No.: M587790 분자식: C₈H₈N₂O 분자량: 148.16 EC 번호: 964-647-9

GRADE & PURITY ≥98%

Synonyms

SCHEMBL296198 | FT-0648000 | A4052 | A812755 | BCP09442 | SY021298 | GEO-03788 | W-206308 | PB32442 | AFUFCCUQHGSNAN-UHFFFAOYSA-N | AS-18176 | 5-Methoxy-1H-pyrrolo[2,3-b]pyridine, AldrichCPR | 5-Methoxy-7-azaindole | 5-Methoxy-1H-pyrrolo[2,3-b]pyridin | 5

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

동의어

SCHEMBL296198 | FT-0648000 | A4052 | A812755 | BCP09442 | SY021298 | GEO-03788 | W-206308 | PB32442 | AFUFCCUQHGSNAN-UHFFFAOYSA-N | AS-18176 | 5-Methoxy-1H-pyrrolo[2,3-b]pyridine, AldrichCPR | 5-Methoxy-7-azaindole | 5-Methoxy-1H-pyrrolo[2,3-b]pyridin | 5

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

508810025

정식 스마일

COC1=CN=C2C(=C1)C=CN2

IUPAC Name

5-methoxy-1H-pyrrolo[2,3-b]pyridine

InChIKey

AFUFCCUQHGSNAN-UHFFFAOYSA-N

INCHI

1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)

이성체 SMILES

COC1=CN=C2C(=C1)C=CN2

WGK 독일

3

대체 CAS

183208-36-8

분자량

148.16

Reaxy-Rn

8254000

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8254000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 148.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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