Cas no 77314-81-9 (2-Dimethylamino-isonicotinic acid)

2-Dimethylamino-isonicotinic acid is a heterocyclic compound featuring a pyridine core substituted with a dimethylamino group and a carboxylic acid functionality. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The dimethylamino group enhances electron density, influencing its binding properties in coordination chemistry and catalysis. The carboxylic acid moiety allows for further derivatization, enabling the formation of amides, esters, or metal complexes. Its stability under standard conditions and compatibility with common organic solvents facilitate handling in synthetic applications. This compound is particularly useful in the development of bioactive molecules, where its structural motifs contribute to targeted molecular interactions.
2-Dimethylamino-isonicotinic acid structure
77314-81-9 structure
Product Name:2-Dimethylamino-isonicotinic acid
CAS No:77314-81-9
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD07643262
CID:1073567
PubChem ID:6484234
Update Time:2025-06-08

2-Dimethylamino-isonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Dimethylamino-isonicotinic acid
    • 2-(dimethylamino)pyridine-4-carboxylic acid
    • 2-(dimethylamino)-4-pyridinecarboxylic acid
    • N,N-Dimethylamino-isonicotinsaeure
    • FT-0677724
    • AB42050
    • ONNSLUVHHJGCMH-UHFFFAOYSA-N
    • DTXSID70424431
    • MFCD07643262
    • SCHEMBL11340185
    • AMY27325
    • CS-0151304
    • Z285782398
    • 2-(Dimethylamino)isonicotinic acid, AldrichCPR
    • EN300-37252
    • BS-13650
    • 2-(dimethylamino)isonicotinic acid
    • 77314-81-9
    • 2-(dimethylamino)isonicotinicacid
    • AKOS000215102
    • HMS1699C12
    • BB 0257190
    • D94796
    • ALBB-013443
    • 4-PYRIDINECARBOXYLIC ACID, 2-(DIMETHYLAMINO)-
    • DB-191774
    • MDL: MFCD07643262
    • Inchi: 1S/C8H10N2O2/c1-10(2)7-5-6(8(11)12)3-4-9-7/h3-5H,1-2H3,(H,11,12)
    • InChI Key: ONNSLUVHHJGCMH-UHFFFAOYSA-N
    • SMILES: OC(C1C=CN=C(C=1)N(C)C)=O

Computed Properties

  • Exact Mass: 166.07400
  • Monoisotopic Mass: 166.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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: 0.8
  • Topological Polar Surface Area: 53.4?2

Experimental Properties

  • PSA: 53.43000
  • LogP: 0.84580

2-Dimethylamino-isonicotinic acid Security Information

  • Hazard Category Code: 43
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-Dimethylamino-isonicotinic acid 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%

2-Dimethylamino-isonicotinic acid Pricemore >>

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