Cas no 942920-50-5 (4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine)

4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine structure
942920-50-5 structure
Product Name:4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
CAS No:942920-50-5
MF:C7H4BrClN2
MW:231.477059364319
MDL:MFCD09880158
CID:821326
PubChem ID:24729595
Update Time:2024-10-25

4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
    • 1H-Pyrrolo[2,3- b]pyridine, 4-bromo-6-chloro-
    • 4-Bromo-6-chloro-7-azaindole
    • 1H-PYRROLO[2,3-B]PYRIDINE, 4-BROMO-6-CHLORO-
    • PubChem19351
    • OATRMIWUNLJMJV-UHFFFAOYSA-N
    • VP12406
    • PB10765
    • FCH1394924
    • BC004437
    • ST1090510
    • AX8165441
    • AB0038311
    • Y5671
    • A844904
    • 920P505
    • 4-bromanyl-6-chloranyl-1H-pyrrolo[2,3-b]pyridine
    • 4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine (ACI)
    • AKOS015851080
    • CS-0002349
    • MFCD09880158
    • SCHEMBL4322050
    • AS-33556
    • SY097977
    • 942920-50-5
    • DTXSID10646913
    • MDL: MFCD09880158
    • Inchi: 1S/C7H4BrClN2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)
    • InChI Key: OATRMIWUNLJMJV-UHFFFAOYSA-N
    • SMILES: ClC1C=C(Br)C2=C(NC=C2)N=1

Computed Properties

  • Exact Mass: 229.92500
  • Monoisotopic Mass: 229.925
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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: 28.7
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3

Experimental Properties

  • Density: 1.878
  • Boiling Point: 359.8 °C at 760 mmHg
  • Flash Point: 359.8 °C at 760 mmHg
  • Refractive Index: 1.73
  • PSA: 28.68000
  • LogP: 2.97880

4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine Security Information

  • HazardClass:IRRITANT

4-Bromo-6-chloro-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%

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4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Methanesulfonyl chloride Solvents: Dimethylformamide ;  1 h, 50 °C → 75 °C
Reference
Preparation of fused heterocyclic compound and application thereof
, China, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Methanesulfonyl chloride Solvents: Dimethylformamide ;  50 °C; 2 h, 75 °C; 75 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 7, 0 °C; 3 h, rt
Reference
Heterocyclic fused pyrimidine derivative, pharmaceutical composition thereof, and application thereof
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Methanesulfonyl chloride Solvents: Dimethylformamide ;  50 °C; 1 h, 75 °C; 75 °C → rt
1.2 Reagents: Water ;  rt → 5 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 7, 5 °C; 3 h, rt
Reference
Preparation of azaindoles as aurora kinase inhibitors for the treatment of cancer
, United States, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  16 h, 100 °C; 100 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  0 °C
Reference
Preparation of heterocyclic inhibitors of ATR kinase
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  16 h, 100 °C; 16 h, 100 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Dichloromethane ,  Water ;  rt
Reference
Preparation of tetrahydropyrido[4,3-d]pyrimidine as ATR kinase inhibitors for treatment of cancer
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Methanesulfonyl chloride Solvents: Dimethylformamide ;  50 °C; 1 h, 75 °C; 75 °C → rt
1.2 Reagents: Water ;  rt → 0 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  neutralized, 0 °C
Reference
Preparation of N-(pyrrolopyridinyl) sulfonamides as novel NADPH oxidase II inhibitors
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
Reference
Preparation of fused heterocyclic compound and application thereof
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
Reference
Five-membered nitrogen-containing heterocyclic and heteroaryl derivative and application as ATR kinase inhibitor
, World Intellectual Property Organization, , ,

4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine Raw materials

4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine Preparation Products

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