Cas no 800401-67-6 (Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate)

Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate structure
800401-67-6 structure
Product Name:Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CAS No:800401-67-6
MF:C10H9ClN2O2
MW:224.643661260605
MDL:MFCD09878687
CID:712751
PubChem ID:44630703
Update Time:2024-10-27

Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
    • 1H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-chloro-, ethyl ester
    • 5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester
    • ethyl 5-chloro-1H-pyrrolo(2,3-c)pyridine-2-carboxylate
    • 5-chloro-1H-pyrrolo[2,3-c]picolinic acid ethyl ester
    • 5-Chloro-6-azaindole-2-carboxylic acid ethyl ester
    • SC2881
    • Ethyl 5-Chloro-1H-pyrrolo-[2,3-c]-pyridine-2-carboxylate
    • 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-chloro-, ethyl ester
    • PubChem14378
    • ethyl5-chloro-1H-pyrrolo(2,3-c)pyridine-2-carboxylate
    • ZQKMNQPQMGJIHD-UHFFFAOYSA-N
    • CE0105
    • EN300-6501466
    • CS-D0200
    • FT-0646566
    • ethyl 5-chloro-1H-pyrrolo?2?3-c?pyridine-2-carboxylate
    • AKOS015843456
    • J-521122
    • ethyl5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
    • MFCD09878687
    • AMY14141
    • SCHEMBL1202654
    • BB 0260969
    • DTXSID80659999
    • A9939
    • 800401-67-6
    • SY006789
    • PB22327
    • DB-075644
    • MDL: MFCD09878687
    • Inchi: 1S/C10H9ClN2O2/c1-2-15-10(14)7-3-6-4-9(11)12-5-8(6)13-7/h3-5,13H,2H2,1H3
    • InChI Key: ZQKMNQPQMGJIHD-UHFFFAOYSA-N
    • SMILES: O=C(C1NC2C(=CC(=NC=2)Cl)C=1)OCC

Computed Properties

  • Exact Mass: 224.03500
  • Monoisotopic Mass: 224.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 250
  • 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: 55
  • XLogP3: 2.5

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.391
  • Boiling Point: 405.984 °C at 760 mmHg
  • Flash Point: 199.332 °C
  • Refractive Index: 1.637
  • PSA: 54.98000
  • LogP: 2.39300

Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Security Information

Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate 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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Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iron ,  Ammonium chloride Solvents: Ethanol ,  Tetrahydrofuran ,  Water ;  2 h, reflux
Reference
Synthesis of the new ring system bispyrido[4',3':4,5]pyrrolo[1,2-a:1',2'-d]pyrazine and its deaza analogue
Parrino, Barbara; Spano, Virginia; Carbone, Anna; Barraja, Paola; Diana, Patrizia; et al, Molecules, 2014, 19(9), 13342-13357

Production Method 2

Reaction Conditions
1.1 Reagents: Iron ,  Ammonium chloride Solvents: Ethanol ,  Tetrahydrofuran ,  Water ;  reflux
Reference
Novel Liver-targeted conjugates of Glycogen Phosphorylase Inhibitor PSN-357 for the Treatment of Diabetes: Design, Synthesis, Pharmacokinetic and Pharmacological Evaluations
Zhang, Liying; Song, Chengjun; Miao, Guangxin; Zhao, Lianzhi; Yan, Zhiwei; et al, Scientific Reports, 2017, 7,

Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Raw materials

Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Preparation Products

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