Cas no 944937-30-8 (Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate)

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate structure
944937-30-8 structure
Product Name:Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CAS No:944937-30-8
MF:C9H7IN2O2
MW:302.068554162979
MDL:MFCD09260187
CID:803080
PubChem ID:329771594
Update Time:2024-10-25

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid, 3-iodo-, methyl ester
    • 3-Iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
    • methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • 3-IODO-7-AZAINDOLE-5-CARBOXYLIC ACID METHYL ESTER
    • AK327728
    • 3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLICACID METHYL ESTER
    • METHYL 3-IODO-7-AZAINDOLE-5-CARBOXYLATE
    • ABEUCTPKYMGJPZ-UHFFFAOYSA-N
    • 3963AF
    • PB29612
    • FCH1328462
    • VP11098
    • Methyl-3-i
    • Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (ACI)
    • 944937-30-8
    • DTXSID20640144
    • P10702
    • MFCD09260187
    • Methyl-3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • AKOS015850842
    • AS-50609
    • CS-0004624
    • methyl3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • 3-Iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester, AldrichCPR
    • 3-iodo-1h-pyrrolo[2,3-b]pyridine-5-carboxylicacidmethylester
    • SCHEMBL13306699
    • AC-24705
    • Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
    • MDL: MFCD09260187
    • Inchi: 1S/C9H7IN2O2/c1-14-9(13)5-2-6-7(10)4-12-8(6)11-3-5/h2-4H,1H3,(H,11,12)
    • InChI Key: ABEUCTPKYMGJPZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C2C(NC=C2I)=NC=1)OC

Computed Properties

  • Exact Mass: 301.95500
  • Monoisotopic Mass: 301.95523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 1.8
  • Topological Polar Surface Area: 55

Experimental Properties

  • Density: 1.948
  • Refractive Index: 1.72
  • PSA: 54.98000
  • LogP: 1.95410

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-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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Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Acetone ;  1 h, rt
Reference
Preparation of substituted 3-piperidinyl-pyrrolo[2,3-b]pyridines and related compounds and their use in treatment of diseases
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Iodine Solvents: Dimethylformamide ;  rt; 2 h, rt
1.2 Reagents: Sodium bisulfate ,  Water ;  rt; 1 h, rt
Reference
Preparation of spiro[indazole-5,4'-piperidin]-1'-yl compounds as acetyl-CoA carboxylase inhibitors
, United States, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Dimethylformamide ;  16 h, rt
Reference
Preparation of pyrrolopyridine inhibitors of kinases
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Pyridine ,  Iodine chloride Solvents: Dichloromethane ,  Pyridine ;  cooled; cooled; 15 min, 0 °C; 0 °C → rt; 30 min, rt
Reference
Preparation of pyridinonyl PDK1 inhibitors
, World Intellectual Property Organization, , ,

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Raw materials

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Preparation Products

Methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate Related Literature

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