Cas no 876919-10-7 (Methyl 2-chloro-5-fluoroisonicotinate)

Methyl 2-chloro-5-fluoroisonicotinate structure
876919-10-7 structure
Product Name:Methyl 2-chloro-5-fluoroisonicotinate
CAS No:876919-10-7
MF:C7H5ClFNO2
MW:189.571504354477
MDL:MFCD09909836
CID:875928
PubChem ID:46311230
Update Time:2024-10-26

Methyl 2-chloro-5-fluoroisonicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-chloro-5-fluoroisonicotinate
    • 2-CHLORO-5-FLUOROISONICOTINIC ACID METHYL ESTER
    • Methyl 2-chloro-5-fluoropyridine-4-carboxylate
    • Methyl 2-chloro-5-fluoro-4-pyridinecarboxylate (ACI)
    • EN300-396126
    • PS-6726
    • SRNIKBWSSVPZDX-UHFFFAOYSA-N
    • Methyl 2-chloro-5-fluoropyridine-4-carboxylate, 2-Chloro-5-fluoro-4-(methoxycarbonyl)pyridine
    • AC-27985
    • Methyl 2-chloro-5-fluoro-pyridine-4-carboxylate
    • Z1198261713
    • AKOS006311813
    • Methyl2-chloro-5-fluoroisonicotinate
    • SB52734
    • SCHEMBL1330158
    • DTXSID90673247
    • MFCD09909836
    • CS-D0437
    • 876919-10-7
    • MDL: MFCD09909836
    • Inchi: 1S/C7H5ClFNO2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,1H3
    • InChI Key: SRNIKBWSSVPZDX-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=CN=C(Cl)C=1)OC

Computed Properties

  • Exact Mass: 188.99900
  • Monoisotopic Mass: 188.9992843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19000
  • LogP: 1.66070

Methyl 2-chloro-5-fluoroisonicotinate Pricemore >>

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Methyl 2-chloro-5-fluoroisonicotinate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  rt; 2 h, reflux
Reference
Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
Brewitz, Lennart; et al, Journal of Fluorine Chemistry, 2021, 247,

Methyl 2-chloro-5-fluoroisonicotinate Raw materials

Methyl 2-chloro-5-fluoroisonicotinate Preparation Products

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