Cas no 846021-26-9 (2-amino-6-methyl-pyridine-3-carboxylic acid)

2-amino-6-methyl-pyridine-3-carboxylic acid structure
846021-26-9 structure
Product Name:2-amino-6-methyl-pyridine-3-carboxylic acid
CAS No:846021-26-9
MF:C7H8N2O2
MW:152.150621414185
MDL:MFCD03427668
CID:716406
PubChem ID:2734432
Update Time:2024-12-09

2-amino-6-methyl-pyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 2-amino-6-methyl-
    • 2-AMINO-6-METHYL-3-PYRIDINECARBOXYLIC ACID
    • 2-Amino-6-methylnicotinic acid
    • 2-amino-6-methylpyridine-3-carboxylic acid
    • 3-PYRIDINECARBOXYLIC ACID, 2-AMINO-6-METHYL-
    • 2-AMINO-6-METHYL-NICOTINIC ACID
    • 2-Amino-6-methyl-pyridine-3-carboxylic acid
    • XQBYYQRWYONQLM-UHFFFAOYSA-N
    • 3156AH
    • PB33689
    • ST50824329
    • 2-Amino-6-methyl-3-pyridinecarboxylic acid (ACI)
    • Nicotinic acid, 2-amino-6-methyl- (5CI)
    • 2-AMINO-6-METHYLNICOTINICACID
    • MFCD03427668
    • SCHEMBL167457
    • AS-41535
    • SY111851
    • DTXSID40370310
    • EN300-170181
    • CS-B0703
    • AKOS012001786
    • CHEMBL3110051
    • 846021-26-9
    • 2-amino-6-methyl-pyridine-3-carboxylic acid
    • MDL: MFCD03427668
    • Inchi: 1S/C7H8N2O2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)
    • InChI Key: XQBYYQRWYONQLM-UHFFFAOYSA-N
    • SMILES: O=C(C1C(N)=NC(C)=CC=1)O

Computed Properties

  • Exact Mass: 152.058577502g/mol
  • Monoisotopic Mass: 152.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 161
  • 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: 76.2
  • XLogP3: 1

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2-amino-6-methyl-pyridine-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ;  rt → reflux; 3 h, reflux; reflux → 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 4 - 5, 0 °C
Reference
2-Aminonicotinic Acid 1-Oxides Are Chemically Stable Inhibitors of Quinolinic Acid Synthesis in the Mammalian Brain: A Step toward New Antiexcitotoxic Agents
Vallerini, Gian Paolo; Amori, Laura; Beato, Claudia; Tararina, Margarita; Wang, Xiao-Dan; et al, Journal of Medicinal Chemistry, 2013, 56(23), 9482-9495

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ;  2 h, 110 °C
Reference
Synthesis, in vitro and in vivo activity of thiamine antagonist transketolase inhibitors
Thomas, Allen A.; Le Huerou, Y.; De Meese, J.; Gunawardana, Indrani; Kaplan, Tomas; et al, Bioorganic & Medicinal Chemistry Letters, 2008, 18(6), 2206-2210

2-amino-6-methyl-pyridine-3-carboxylic acid Raw materials

2-amino-6-methyl-pyridine-3-carboxylic acid Preparation Products

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