Cas no 951030-56-1 (2-Chloro-5-methyl-isonicotinic acid)

2-Chloro-5-methyl-isonicotinic acid structure
951030-56-1 structure
Product Name:2-Chloro-5-methyl-isonicotinic acid
CAS No:951030-56-1
MF:C7H6ClNO2
MW:171.581040859222
MDL:MFCD13188984
CID:1122900
PubChem ID:72212063
Update Time:2024-10-25

2-Chloro-5-methyl-isonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-methyl-4-Pyridinecarboxylic acid
    • 2-chloro-5-methylpyridine-4-carboxylic acid
    • 2-Chloro-5-methyl-4-pyridinecarboxylic acid (ACI)
    • 2-Chloro-5-methylisonicotinic acid
    • 2-Chloro-5-methyl-isonicotinic acid
    • 2-CHLORO-5-METHYLISONICOTINICACID
    • SY197710
    • EN300-94769
    • BNB03056
    • Z1255420966
    • AT21681
    • MFCD13188984
    • DB-088862
    • 951030-56-1
    • CS-0148840
    • BS-49970
    • AB67501
    • SCHEMBL18068216
    • MDL: MFCD13188984
    • Inchi: 1S/C7H6ClNO2/c1-4-3-9-6(8)2-5(4)7(10)11/h2-3H,1H3,(H,10,11)
    • InChI Key: RFDAKGNAGCNTEI-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=CN=C(Cl)C=1)O

Computed Properties

  • Exact Mass: 171.0087061g/mol
  • Monoisotopic Mass: 171.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 1.7
  • Topological Polar Surface Area: 50.2?2

2-Chloro-5-methyl-isonicotinic acid Pricemore >>

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2-Chloro-5-methyl-isonicotinic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Magnesate(1-), dichloro(1-methylethyl)-, lithium (1:1) Solvents: Tetrahydrofuran ;  0 °C; 1 h, 22 °C
1.2 40 min, 1 atm, 22 °C
1.3 Solvents: Water
1.4 Reagents: Hydrochloric acid Solvents: Water ;  pH 5
Reference
Preparation of substituted tetrahydroisoquinolines as PRMT5 inhibitors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  2 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof
, World Intellectual Property Organization, , ,

2-Chloro-5-methyl-isonicotinic acid Raw materials

2-Chloro-5-methyl-isonicotinic acid Preparation Products

2-Chloro-5-methyl-isonicotinic acid Related Literature

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