3-chloropyrazine-2-carboxylic acid - CAS 27398-39-6
Catalog: |
BB019558 |
Product Name: |
3-chloropyrazine-2-carboxylic acid |
CAS: |
27398-39-6 |
Synonyms: |
3-chloro-2-pyrazinecarboxylic acid; 3-chloropyrazine-2-carboxylic acid |
IUPAC Name: | 3-chloropyrazine-2-carboxylic acid |
Description: | 3-chloropyrazine-2-carboxylic acid (CAS# 27398-39-6) is used in the synthesis of a novel inhibitor (CX-4945) of protein kinase CK2 in the treatment of cancer. Also used in the synthesis of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase. |
Molecular Weight: | 158.541 |
Molecular Formula: | C5H3ClN2O2 |
Canonical SMILES: | C1=CN=C(C(=N1)C(=O)O)Cl |
InChI: | InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10) |
InChI Key: | PMRPVXLESNMKLG-UHFFFAOYSA-N |
Boiling Point: | 317 °C at 760 mmHg |
Density: | 1.579 g/cm3 |
LogP: | 0.82820 |
GHS Hazard Statement: | H302 (40%): 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 |
WO-2021198149-A1 | Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity | 20200330 |
WO-2021055378-A1 | Nematicidal compositions | 20190917 |
WO-2021032934-A1 | Enzyme inhibitors | 20190821 |
CN-108299428-B | 8- amido -7- methyl formate-pyrazine a pair of horses going side by side Pyridione derivatives and the preparation method and application thereof | 20180404 |
CN-109206428-A | Pyrazine and phenodiazine * analog derivative and its medical usage | 20170705 |
PMID | Publication Date | Title | Journal |
17504199 | 20070501 | Antimicrobial evaluation of some arylsulfanylpyrazinecarboxylic acid derivatives | Medicinal chemistry (Shariqah (United Arab Emirates)) |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9883050 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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