Cas no 113975-42-1 (2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine)

2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine is a heterocyclic organic compound featuring a fused pyrrole-pyridine core with a tert-butyl substituent at the 2-position. This structure imparts steric and electronic effects that enhance its utility in pharmaceutical and agrochemical research. The tert-butyl group improves stability and influences reactivity, making it a valuable intermediate for synthesizing bioactive molecules. Its rigid scaffold is advantageous in medicinal chemistry for designing enzyme inhibitors or receptor modulators. The compound's purity and well-defined structure ensure reproducibility in synthetic applications. Suitable for cross-coupling reactions and functionalization, it serves as a versatile building block in drug discovery and material science.
2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine structure
113975-42-1 structure
Product Name:2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine
CAS No:113975-42-1
MF:C11H14N2
MW:174.242262363434
CID:130350
PubChem ID:14047160
Update Time:2025-06-07

2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine
    • 1H-Pyrrolo[2,3-c]pyridine,2-(1,1-dimethylethyl)-
    • 2-TERT-BUTYL-1H-PYRROLO[2,3-C]PYRIDINE
    • DTXSID60554998
    • 113975-42-1
    • SCHEMBL12571647
    • AKOS006287321
    • A894289
    • FT-0691861
    • 1H-Pyrrolo[2,3-c]pyridine, 2-(1,1-dimethylethyl)-
    • MDL： MFCD07776600
    • Inchi： 1S/C11H14N2/c1-11(2,3)10-6-8-4-5-12-7-9(8)13-10/h4-7,13H,1-3H3
    • InChI Key： VJHOIYGZUNWFBF-UHFFFAOYSA-N
    • SMILES： N1C2C=NC=CC=2C=C1C(C)(C)C

Computed Properties

  • Exact Mass: 174.11600
  • Monoisotopic Mass: 174.115698455g/mol
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 1.076
  • Boiling Point: 317.8°C at 760 mmHg
  • Flash Point: 135.5°C
  • Refractive Index: 1.595
  • PSA: 28.68000
  • LogP: 2.86040

2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine 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-pyrrolo[2,3-c]pyridine Pricemore >>

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2-(tert-Butyl)-1H-pyrrolo[2,3-c]pyridine Production Method

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