Cas no 1020056-56-7 (4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine)

4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine is a heterocyclic compound featuring a fused pyrrolopyridine core with chloro and methyl substituents at the 4- and 5-positions, respectively. This structure serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of kinase inhibitors and other biologically active molecules. The chloro group enhances reactivity for further functionalization, while the methyl substituent can influence steric and electronic properties. Its rigid bicyclic framework contributes to stability and precise molecular interactions. The compound is typically handled under inert conditions due to its sensitivity. High purity grades are available for research applications, ensuring reproducibility in synthetic workflows.
4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine structure
1020056-56-7 structure
Product Name:4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
CAS No:1020056-56-7
MF:C8H7ClN2
MW:166.607580423355
MDL:MFCD09965882
CID:1074056
PubChem ID:329771980
Update Time:2025-10-19

4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
    • AC1Q2OIC
    • AG-A-74019
    • AK-37481
    • CTK6C3633
    • MolPort-005-957-103
    • CS-0037735
    • LIMOUCQGJZDFKP-UHFFFAOYSA-N
    • AMY2066
    • DB-029397
    • SB14152
    • 1020056-56-7
    • Y10956
    • 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-methyl-
    • SCHEMBL12561934
    • 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine, AldrichCPR
    • PS-13143
    • BCP21971
    • DTXSID30649805
    • MFCD09965882
    • AKOS006314751
    • VQB05656
    • BDBM50455612
    • A857415
    • CHEMBL4204389
    • MDL： MFCD09965882
    • Inchi： 1S/C8H7ClN2/c1-5-4-11-8-6(7(5)9)2-3-10-8/h2-4H,1H3,(H,10,11)
    • InChI Key： LIMOUCQGJZDFKP-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=CN=C2C=1C=CN2

Computed Properties

  • Exact Mass: 166.03000
  • Monoisotopic Mass: 166.0297759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 151
  • 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: 2.3
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 1.351±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.48 g/l) (25 o C),
  • PSA: 28.68000
  • LogP: 2.52470

4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine Security Information

  • Symbol: GHS05 GHS07
  • Signal Word：Danger
  • Hazard Statement： H302-H318
  • Warning Statement： P280-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22-41
  • Safety Instruction： 26-39
  • Hazardous Material Identification： Xn
  • HazardClass：IRRITANT

4-Chloro-5-methyl-1H-pyrrolo[2,3-b]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%

4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine Pricemore >>

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