Cas no 800401-54-1 (6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid)

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid structure
800401-54-1 structure
Product Name:6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CAS No:800401-54-1
MF:C8H5ClN2O2
MW:196.590500593185
MDL:MFCD09878691
CID:712750
PubChem ID:37818974
Update Time:2024-10-27

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
    • 1H-Pyrrolo[3,2-c]pyridine-2-carboxylicacid, 6-chloro-
    • 6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (ACI)
    • 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 6-chloro-
    • J-518502
    • 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylicacid
    • SCHEMBL1824752
    • A839815
    • FT-0649600
    • CS-B1081
    • 6-CHLORO-5-AZAINDOLE-2-CARBOXYLIC ACID
    • DTXSID40653337
    • MFCD09878691
    • EF-0722
    • PB25228
    • 800401-54-1
    • AKOS006310155
    • IZFVERBPAPUYEK-UHFFFAOYSA-N
    • SY031870
    • 1H-6-chloro-pyrrolo[3,2-c]pyridine-2-carboxylic acid
    • DB-075640
    • MDL： MFCD09878691
    • Inchi： 1S/C8H5ClN2O2/c9-7-2-5-4(3-10-7)1-6(11-5)8(12)13/h1-3,11H,(H,12,13)
    • InChI Key： IZFVERBPAPUYEK-UHFFFAOYSA-N
    • SMILES： O=C(C1NC2C(=CN=C(C=2)Cl)C=1)O

Computed Properties

  • Exact Mass: 196.00400
  • Monoisotopic Mass: 196.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • 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: 66A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.644
  • Boiling Point: 500.8℃ at 760 mmHg
  • Flash Point: 236.255°C
  • Refractive Index: 1.744
  • PSA: 65.98000
  • LogP: 1.91450

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid Security Information

  • HazardClass：IRRITANT

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid 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%

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid Pricemore >>

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6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dabco Catalysts: Palladium diacetate Solvents: Dimethylformamide ;  110 °C
Reference
Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)
Chowdhury, Sarwat; Sessions, E. Hampton; Pocas, Jennifer R.; Grant, Wayne; Schroeter, Thomas; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(23), 7107-7112

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid Raw materials

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