Cas no 847729-27-5 (methyl 2-chloro-5-fluoropyridine-3-carboxylate)

Methyl 2-chloro-5-fluoropyridine-3-carboxylate is a fluorinated pyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features—a chloro substituent at the 2-position and a fluorine at the 5-position—enhance reactivity and selectivity in nucleophilic substitution and cross-coupling reactions. The methyl ester group at the 3-position provides a versatile handle for further functionalization, making it a valuable intermediate in the development of active ingredients. Its stability under standard storage conditions and compatibility with common organic solvents further contribute to its broad applicability in fine chemical manufacturing. This compound is particularly useful in constructing heterocyclic frameworks for bioactive molecules.
methyl 2-chloro-5-fluoropyridine-3-carboxylate structure
847729-27-5 structure
Product Name:methyl 2-chloro-5-fluoropyridine-3-carboxylate
CAS No:847729-27-5
MF:C7H5ClFNO2
MW:189.571504354477
MDL:MFCD09763661
CID:716456
PubChem ID:329771477
Update Time:2025-05-28

methyl 2-chloro-5-fluoropyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-chloro-5-fluoronicotinate
    • 3-PYRIDINECARBOXYLIC ACID,2-CHLORO-5-FLUORO-,METHYL ESTER
    • methyl 2-chloro-5-fluoropyridine-3-carboxylate
    • 2-chloro-5-fluoro-3-pyridinecarboxylic acid methyl ester
    • 2-chloro-5-fluoronicotinic acid methyl ester
    • Methyl 2-chloro-5-fluoro-3-pyridinecarboxylate (ACI)
    • DTXSID30640099
    • Methyl 2-chloro-5-fluoronicotinate, AldrichCPR
    • SY097457
    • FT-0678316
    • CS-0042709
    • Methyl2-chloro-5-fluoronicotinate
    • VYUNQTNDEVFXPO-UHFFFAOYSA-N
    • J-521987
    • MFCD09763661
    • MC-0746
    • AMY3514
    • SCHEMBL2582436
    • 3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-FLUORO-, METHYL ESTER
    • 847729-27-5
    • P10765
    • AKOS005073574
    • A840913
    • AB51576
    • 2-CHLORO-5-FLUORO-NICOTINIC ACID METHYL ESTER
    • BBL100364
    • DB-029492
    • STL554158
    • Methyl 2-chloro-5-fluoro-pyridine-3-carboxylate
    • MDL： MFCD09763661
    • Inchi： 1S/C7H5ClFNO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3
    • InChI Key： VYUNQTNDEVFXPO-UHFFFAOYSA-N
    • SMILES： ClC1C(C(=O)OC)=CC(=CN=1)F

Computed Properties

  • Exact Mass: 188.99900
  • Monoisotopic Mass: 188.999
  • 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: 39.2A^2

Experimental Properties

  • Density: 1.386
  • Boiling Point: 235.4℃ at 760 mmHg
  • Flash Point: 96.2°C
  • Refractive Index: 1.511
  • PSA: 39.19000
  • LogP: 1.66070

methyl 2-chloro-5-fluoropyridine-3-carboxylate Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • Hazard Category Code： 22
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

methyl 2-chloro-5-fluoropyridine-3-carboxylate Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

methyl 2-chloro-5-fluoropyridine-3-carboxylate Pricemore >>

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methyl 2-chloro-5-fluoropyridine-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  1 h, 0 - 5 °C; 7 h, reflux
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 8 - 9
Reference
A Novel and Practical Synthesis of 5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile, a Key Intermediate of Vericiguat
Bi, Siju ; Diao, Wenshuang; Tian, Ting; Zhou, Ting; Lin, Kuaile; et al, Organic Process Research & Development, 2023, 27(4), 755-762

methyl 2-chloro-5-fluoropyridine-3-carboxylate Raw materials

methyl 2-chloro-5-fluoropyridine-3-carboxylate Preparation Products

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