5-Nitro-7-azaindole - ≥97% , CAS No.101083-92-5

CAS: 101083-92-5 Cat. No.: N137409 분자식: C₇H₅N₃O₂ 분자량: 163.14

GRADE & PURITY ≥97%

Synonyms

DTXSID80467950 | W-200645 | DS-10666 | SCHEMBL1365382 | 5-Nitro-7-azaindole | BCP27868 | PB15855 | INMIPMLIYKQQID-UHFFFAOYSA-N | MFCD06659682 | 1H-PYRROLO[2,3-B]PYRIDINE, 5-NITRO- | AM20050609 | FT-0648835 | SY097773 | 5-nitro-1H-pyrrolo[2,3-b]pyridine |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID80467950 | W-200645 | DS-10666 | SCHEMBL1365382 | 5-Nitro-7-azaindole | BCP27868 | PB15855 | INMIPMLIYKQQID-UHFFFAOYSA-N | MFCD06659682 | 1H-PYRROLO[2,3-B]PYRIDINE, 5-NITRO- | AM20050609 | FT-0648835 | SY097773 | 5-nitro-1H-pyrrolo[2,3-b]pyridine |

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

504766510

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766510

정식 스마일

C1=CNC2=NC=C(C=C21)[N+](=O)[O-]

IUPAC Name

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

InChIKey

INMIPMLIYKQQID-UHFFFAOYSA-N

INCHI

1S/C7H5N3O2/c11-10(12)6-3-5-1-2-8-7(5)9-4-6/h1-4H,(H,8,9)

이성체 SMILES

C1=CNC2=NC=C(C=C21)[N+](=O)[O-]

분자량

163.14

Reaxy-Rn

147203

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147203&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: Nitroaromatic compounds Pyridines and derivatives Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Nitroaromatic compound - Pyridine - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organic oxygen 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

• 녹는점(°C): 280°C
• 분자량: 163.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.038 Da
• Monoisotopic Mass: 163.038 Da
• Topological Polar Surface Area: 74.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 101083-92-5, the molecular formula is C7H5N3O2, and the molecular weight is 163.14 g/mol. InChIKey INMIPMLIYKQQID-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.