Cas no 944401-72-3 (2-Amino-5-bromoisonicotinonitrile)

2-Amino-5-bromoisonicotinonitrile structure
944401-72-3 structure
Product Name:2-Amino-5-bromoisonicotinonitrile
CAS No:944401-72-3
MF:C6H4BrN3
MW:198.020059585571
MDL:MFCD09907918
CID:1037442
PubChem ID:53440577
Update Time:2024-10-25

2-Amino-5-bromoisonicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-5-bromoisonicotinonitrile
    • 2-Amino-5-bromo-isonicotinonitrile
    • 2-amino-5-bromopyridine-4-carbonitrile
    • QC-862
    • 2-Amino-5-bromo-4-pyridinecarbonitrile (ACI)
    • SCHEMBL338485
    • CS-0036617
    • F13361
    • 5-bromo-2-imino-1,2-dihydropyridine-4-carbonitrile
    • A929154
    • DTXSID80702671
    • Z1198237746
    • EN300-126603
    • SB40141
    • WEMPYBBWDHFMFG-UHFFFAOYSA-N
    • J-507913
    • MFCD09907918
    • 944401-72-3
    • AS-61512
    • AKOS006313661
    • 2-Amino-5-bromoisonicotinonitrile;2-Amino-5-bromo-isonicotinonitrile;2-amino-5-bromopyridine-4-carbonitrile;QC-862
    • AKOS037645565
    • SY123322
    • MDL: MFCD09907918
    • Inchi: 1S/C6H4BrN3/c7-5-3-10-6(9)1-4(5)2-8/h1,3H,(H2,9,10)
    • InChI Key: WEMPYBBWDHFMFG-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C=C1C#N)N

Computed Properties

  • Exact Mass: 196.95900
  • Monoisotopic Mass: 196.95886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 62.7?2

Experimental Properties

  • PSA: 62.70000
  • LogP: 1.87918

2-Amino-5-bromoisonicotinonitrile 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-Amino-5-bromoisonicotinonitrile Pricemore >>

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2-Amino-5-bromoisonicotinonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Tetrahydrofuran ;  0 °C; 0 °C → rt; 0.5 h, rt
1.2 Reagents: Sodium thiosulfate Solvents: Water
Reference
High selectivity substituted pyrimidine PI3K inhibitor
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  0 °C; 0 °C → rt; 2 h, rt
Reference
Design, Synthesis, and Biological Evaluation of Novel Imidazo[1,2-a]pyridine Derivatives as Potent c-Met Inhibitors
Li, Chunpu; Ai, Jing; Zhang, Dengyou; Peng, Xia; Chen, Xi; et al, ACS Medicinal Chemistry Letters, 2015, 6(5), 507-512

Production Method 3

Reaction Conditions
Reference
Pyrazole derivatives as YAP/TAZ-TEAD inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer and fibrosis
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
Reference
Method of inhibiting hamartoma tumor cells
, United States, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile
Reference
Imidazo[1,2-a]pyridine compounds as tyrosine kinase c-Met signal transduction pathway inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cell hyperplasia diseases
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide ;  rt → -18 °C; 1 h, -18 °C
Reference
Imidazopyridine compounds useful in the treatment of non-insulin dependent diabetes mellitus and their preparation, pharmaceutical compositions
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  3 h, 80 °C
Reference
Preparation of nitrogen-containing macrocyclic compounds useful as BRD4 inhibitors for the treatment of inflammatory disease, cancer, and autoimmune disease
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Production Method 8

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  2 h, rt
1.2 Reagents: Sodium thiosulfate Solvents: Water ;  rt
Reference
Preparation of substituted pyrrolopyridinones as HPK1 antagonists and uses thereof
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: p-Toluenesulfonic acid ,  Butylpyridinium bromide ,  Hydrogen peroxide Solvents: 1,2-Dimethoxyethane ;  24 h, 80 °C
Reference
A mild method for the regioselective bromination of 2-aminopyridines
Xu, Tong; Zhou, Wen; Wang, Jing; Li, Xue; Guo, Jun-Wen; et al, Tetrahedron Letters, 2014, 55(36), 5058-5061

Production Method 10

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  90 min, rt
Reference
Preparation of dimorpholinopyrimidines for inhibiting hamartoma tumor cells
, World Intellectual Property Organization, , ,

Production Method 11

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  90 min, rt
Reference
Identification of NVP-BKM120 as a Potent, Selective, Orally Bioavailable Class I PI3 Kinase Inhibitor for Treating Cancer
Burger, Matthew T.; Pecchi, Sabina; Wagman, Allan; Ni, Zhi-Jie; Knapp, Mark; et al, ACS Medicinal Chemistry Letters, 2011, 2(10), 774-779

Production Method 12

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ;  90 min, rt
Reference
Pyrimidine derivatives used as PI-3 kinase inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer
, World Intellectual Property Organization, , ,

2-Amino-5-bromoisonicotinonitrile Raw materials

2-Amino-5-bromoisonicotinonitrile Preparation Products

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