Cas no 851386-43-1 (2,5-difluoropyridine-3-carboxylic acid)

2,5-difluoropyridine-3-carboxylic acid structure
851386-43-1 structure
Product Name:2,5-difluoropyridine-3-carboxylic acid
CAS No:851386-43-1
MF:C6H3F2NO2
MW:159.090328454971
MDL:MFCD07777166
CID:720389
PubChem ID:11815999
Update Time:2024-10-26

2,5-difluoropyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,5-Difluoronicotinic acid
    • 2,5-Difluoro-nicotinic acid
    • 2,5-DIFLUOROPYRIDINE-3-CARBOXYLIC ACID
    • 3-Pyridinecarboxylicacid, 2,5-difluoro-
    • 2,4-DIFLUOROPHENYL PROPIONATE
    • 2,5-Difluoro-3-pyridinecarboxylic acid (ACI)
    • 2 pound not5-Difluoropyridine-3-carboxylicacid
    • DTXSID20473439
    • 3-Pyridinecarboxylicacid,2,5-difluoro-
    • AS-76763
    • 2,5-Difluoronicotinicacid
    • 2,5-difluoro nicotinic acid
    • SB21586
    • AT10057
    • EN300-343829
    • SY064423
    • NEDDADJKOLQIJZ-UHFFFAOYSA-N
    • DB-005873
    • 3-Pyridinecarboxylic acid, 2,5-difluoro-
    • Z1201624187
    • AKOS005258337
    • CS-0130583
    • MFCD07777166
    • 851386-43-1
    • SCHEMBL1759837
    • 2,5-difluoropyridine-3-carboxylic acid
    • MDL: MFCD07777166
    • Inchi: 1S/C6H3F2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
    • InChI Key: NEDDADJKOLQIJZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=NC=C(F)C=1)O

Computed Properties

  • Exact Mass: 159.01300
  • Monoisotopic Mass: 159.01318466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 165
  • 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: 0.9
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19000
  • LogP: 1.05800

2,5-difluoropyridine-3-carboxylic acid Security Information

  • HazardClass:IRRITANT

2,5-difluoropyridine-3-carboxylic acid Pricemore >>

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2,5-difluoropyridine-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Zinc ,  Ammonia Solvents: Water ;  2 h, 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 1, rt
Reference
Selective Functionalization of 2-Fluoropyridine, 2,3-Difluoropyridine, and 2,5-Difluoropyridine at Each Vacant Position
Bobbio, Carla; Schlosser, Manfred, Journal of Organic Chemistry, 2005, 70(8), 3039-3045

Production Method 2

Reaction Conditions
Reference
Product subclass 7: organometallic compounds of potassium
Mordini, Alessandro; Valacchi, M., Science of Synthesis, 2006, 8, 1437-1474

2,5-difluoropyridine-3-carboxylic acid Raw materials

2,5-difluoropyridine-3-carboxylic acid Preparation Products

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