Cas no 86847-74-7 (2-(tert-butyl)-1H-pyrrolo2,3-bpyridine)

2-(tert-Butyl)-1H-pyrrolo[2,3-b]pyridine is a heterocyclic compound featuring a pyrrolopyridine core with a tert-butyl substituent at the 2-position. This structure imparts unique steric and electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical research. The tert-butyl group enhances stability and influences reactivity, facilitating selective functionalization. Its fused bicyclic system is of interest in medicinal chemistry for designing kinase inhibitors and other bioactive molecules. The compound's rigid framework and modifiable nitrogen sites offer versatility in synthetic applications. High purity grades are available to ensure reproducibility in research and development. Suitable for controlled reactions under inert conditions.
2-(tert-butyl)-1H-pyrrolo2,3-bpyridine structure
86847-74-7 structure
Product Name:2-(tert-butyl)-1H-pyrrolo2,3-bpyridine
CAS No:86847-74-7
MF:C11H14N2
MW:174.242262363434
MDL:MFCD02083381
CID:724917
PubChem ID:1484967
Update Time:2025-10-16

2-(tert-butyl)-1H-pyrrolo2,3-bpyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)-1H-pyrrolo[2,3-b]pyridine
    • 1H-Pyrrolo[2,3-b]pyridine, 2-(1,1-dimethylethyl)-
    • 2-(TERT-BUTYL)-7-AZAINDOLE
    • 2-tert-butyl-1H-pyrrolo[2,3-b]pyridine
    • 2-t-Butyl<1H>-pyrrolo<butylpyrrolobpyridine
    • 2-tert-butyl-1H-pyrrolo<2,3-b>pyridine
    • 2-tert-butyl-7-azaindole
    • SCHEMBL1781693
    • 2-tert-Butyl-1H-pyrrolo[2,3-b]pyridine, AldrichCPR
    • A863028
    • HMS1365L11
    • 86847-74-7
    • AKOS000802988
    • DTXSID90363318
    • J-506611
    • FT-0678641
    • 2-(1,1-Dimethylethyl)-1H-pyrrolo[2,3-b]pyridine
    • MFCD02083381
    • Bionet2_000605
    • CS-0004122
    • 7P-418S
    • ZUVOATWKIJYDMN-UHFFFAOYSA-N
    • 2-(tert-butyl)-1H-pyrrolo2,3-bpyridine
    • MDL： MFCD02083381
    • Inchi： 1S/C11H14N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h4-7H,1-3H3,(H,12,13)
    • InChI Key： ZUVOATWKIJYDMN-UHFFFAOYSA-N
    • SMILES： N1C2C(=CC=CN=2)C=C1C(C)(C)C

Computed Properties

  • Exact Mass: 174.11600
  • Monoisotopic Mass: 174.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 28.7A^2
  • XLogP3: 3

Experimental Properties

  • Density: 1.076
  • Boiling Point: 304.3°Cat760mmHg
  • Flash Point: 127.8°C
  • Refractive Index: 1.595
  • PSA: 28.68000
  • LogP: 2.86040

2-(tert-butyl)-1H-pyrrolo2,3-bpyridine Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

2-(tert-butyl)-1H-pyrrolo2,3-bpyridine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(tert-butyl)-1H-pyrrolo2,3-bpyridine Pricemore >>

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