Ethyl 5-Chloropyrazine-2-carboxylate - CAS 54013-04-6
Catalog: |
BB028457 |
Product Name: |
Ethyl 5-Chloropyrazine-2-carboxylate |
CAS: |
54013-04-6 |
Synonyms: |
5-chloro-2-pyrazinecarboxylic acid ethyl ester; ethyl 5-chloropyrazine-2-carboxylate |
IUPAC Name: | ethyl 5-chloropyrazine-2-carboxylate |
Description: | Ethyl 5-Chloropyrazine-2-carboxylate (CAS# 54013-04-6) is a useful research chemical. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(C=N1)Cl |
InChI: | InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3 |
InChI Key: | CFKGDFQQELWOHA-UHFFFAOYSA-N |
LogP: | 1.30670 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110551067-A | Multi-target tacrine derivative and preparation method and application thereof | 20190919 |
CN-110551067-B | Multi-target tacrine derivative and preparation method and application thereof | 20190919 |
WO-2020119896-A1 | Heterocyclic inhibitors of atx | 20181211 |
WO-2020123426-A1 | Aminoazine amides | 20181211 |
EP-3873473-A1 | Aminoazine amides | 20181211 |
PMID | Publication Date | Title | Journal |
8765523 | 19960816 | Quantitative structure-activity relationships for the in vitro antimycobacterial activity of pyrazinoic acid esters | Journal of medicinal chemistry |
7562923 | 19950929 | Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity | Journal of medicinal chemistry |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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