Cas no 915140-96-4 (6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid)

6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid structure
915140-96-4 structure
Product Name:6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CAS No:915140-96-4
MF:C8H5ClN2O2
MW:196.590500593185
MDL:MFCD11518910
CID:796855
PubChem ID:45121070
Update Time:2024-10-26

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

Names and Identifiers

    • 6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
    • 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-chloro-
    • 6-Chloro-7-azaindole-3-carboxylic acid
    • 6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (ACI)
    • MFCD11518910
    • SCHEMBL3554174
    • AKOS006325784
    • PB16396
    • AS-36114
    • DTXSID80669119
    • CS-0002354
    • J-518500
    • 1H-6-Chloro-pyrrolo[2,3-b]pyridine-3-carboxylic acid
    • 6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylicacid
    • 915140-96-4
    • EN300-6479707
    • MDL: MFCD11518910
    • Inchi: 1S/C8H5ClN2O2/c9-6-2-1-4-5(8(12)13)3-10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
    • InChI Key: NPXFUIWZQKUEQK-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(=NC(=CC=2)Cl)NC=1)O

Computed Properties

  • Exact Mass: 210.02000
  • 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

  • Color/Form: OFF-WHITE SOLID
  • Density: 1.566
  • Refractive Index: 1.711
  • PSA: 65.98000
  • LogP: 1.84340

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

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

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

Production Method 1

Reaction Conditions
1.1 1 h, 0 °C; 14 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  10 h, 80 °C
Reference
Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)
Chowdhury, Sarwat; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(23), 7107-7112

Production Method 2

Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: Diethyl ether ;  5 min, 0 °C; 2 h, rt
1.2 Reagents: Ethyl chloroformate ,  Hexamethyldisilazane Solvents: Tetrahydrofuran ;  4 h, rt
1.3 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  6 h, rt
2.1 1 h, 0 °C; 14 h, rt
2.2 Reagents: Sodium hydroxide Solvents: Water ;  10 h, 80 °C
Reference
Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)
Chowdhury, Sarwat; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(23), 7107-7112

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

6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid Preparation Products

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