3-Chloropyrazine-2-carbonitrile - CAS 55557-52-3
Catalog: |
BB029085 |
Product Name: |
3-Chloropyrazine-2-carbonitrile |
CAS: |
55557-52-3 |
Synonyms: |
3-chloro-2-pyrazinecarbonitrile; 3-chloropyrazine-2-carbonitrile |
IUPAC Name: | 3-chloropyrazine-2-carbonitrile |
Description: | 3-Chloropyrazine-2-carbonitrile (CAS# 55557-52-3) is a reactant in the syntheses of tuberculostatic pyrazine derivatives. |
Molecular Weight: | 139.54 |
Molecular Formula: | C5H2ClN3 |
Canonical SMILES: | C1=CN=C(C(=N1)C#N)Cl |
InChI: | InChI=1S/C5H2ClN3/c6-5-4(3-7)8-1-2-9-5/h1-2H |
InChI Key: | SDLFAEGTVBPHBK-UHFFFAOYSA-N |
Boiling Point: | 264.1 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD00219653 |
LogP: | 1.00168 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961105-A | Alkylation method of nitrogen-containing heterocyclic compound | 20210128 |
CN-112552302-A | Substituted aromatic fused ring derivatives, compositions and uses thereof | 20190926 |
WO-2021057877-A1 | Substituted aromatic fused ring derivative and composition comprising same, and use thereof | 20190926 |
CN-110563733-A | Imidazopyrazines as selective BTK inhibitors | 20190912 |
WO-2021038540-A1 | Cycloalkylidene carboxylic acids and derivatives as btk inhibitors | 20190831 |
PMID | Publication Date | Title | Journal |
15950227 | 20050601 | Synthesis and antibacterial activity of 1H-pyrazolo[3,4-b]pyrazine and -pyridine derivatives | Farmaco (Societa chimica italiana : 1989) |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.9937248 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.9937248 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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